Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 03:07:05 UTC |
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Updated at | 2022-09-12 03:07:06 UTC |
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NP-MRD ID | NP0323592 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4-[(3r,3as,5ar,5br,7as,11ar,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-1h,2h,3h,3ah,4h,5h,7ah,9h,10h,11h,11bh,12h,13h,13ah-cyclopenta[a]chrysen-3-yl]pentan-1-ol |
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Description | Hopa-6-ene-29-ethanol belongs to the class of organic compounds known as hopanoids. These are terpenoids containing hopane skeleton(A'-Neogammacerane), a pentacyclic structure with four cyclohexane rings and one cyclopentane ring (and often, a side chain emerging from C30). 4-[(3r,3as,5ar,5br,7as,11ar,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-1h,2h,3h,3ah,4h,5h,7ah,9h,10h,11h,11bh,12h,13h,13ah-cyclopenta[a]chrysen-3-yl]pentan-1-ol is found in Streptomyces coelicolor. Based on a literature review very few articles have been published on Hopa-6-ene-29-ethanol. |
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Structure | CC(CCCO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C=C[C@@]12C InChI=1S/C32H54O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h15,20,22-27,33H,8-14,16-19,21H2,1-7H3/t22?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C32H54O |
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Average Mass | 454.7830 Da |
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Monoisotopic Mass | 454.41747 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC(CCCO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C=C[C@@]12C |
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InChI Identifier | InChI=1S/C32H54O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h15,20,22-27,33H,8-14,16-19,21H2,1-7H3/t22?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1 |
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InChI Key | VXEJZIAQQHPIHP-BPLMESIISA-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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| Not Available | Species |
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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 hopanoids. These are terpenoids containing hopane skeleton(A'-Neogammacerane), a pentacyclic structure with four cyclohexane rings and one cyclopentane ring (and often, a side chain emerging from C30). |
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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 | Hopanoids |
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Direct Parent | Hopanoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Hopane-skeleton
- 24-hydroxysteroid
- Steroid
- Delta-1-steroid
- 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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