Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 19:12:32 UTC |
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Updated at | 2022-04-28 19:12:32 UTC |
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NP-MRD ID | NP0074001 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-ent-Beyer-15-en-18-ol |
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Description | [(1S,4S,5S,9S,10S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadec-14-en-5-yl]methanol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (+)-ent-Beyer-15-en-18-ol is found in Helichrysum tenax var.tenax. Based on a literature review very few articles have been published on [(1S,4S,5S,9S,10S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadec-14-en-5-yl]methanol. |
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Structure | C[C@@]12C[C@@]3(CC[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]3CC1)C=C2 InChI=1S/C20H32O/c1-17-9-5-16-19(3)8-4-7-18(2,14-21)15(19)6-10-20(16,13-17)12-11-17/h11-12,15-16,21H,4-10,13-14H2,1-3H3/t15-,16+,17-,18-,19-,20-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H32O |
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Average Mass | 288.4750 Da |
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Monoisotopic Mass | 288.24532 Da |
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IUPAC Name | [(1S,4S,5S,9S,10S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-5-yl]methanol |
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Traditional Name | [(1S,4S,5S,9S,10S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-5-yl]methanol |
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CAS Registry Number | Not Available |
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SMILES | C[C@@]12C[C@@]3(CC[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]3CC1)C=C2 |
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InChI Identifier | InChI=1S/C20H32O/c1-17-9-5-16-19(3)8-4-7-18(2,14-21)15(19)6-10-20(16,13-17)12-11-17/h11-12,15-16,21H,4-10,13-14H2,1-3H3/t15-,16+,17-,18-,19-,20-/m1/s1 |
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InChI Key | CIGQQQTZOIDQQR-DNDRQTMDSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Beyerane diterpenoid
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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