Record Information |
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Version | 2.0 |
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Created at | 2024-09-11 01:35:31 UTC |
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Updated at | 2024-09-11 01:35:31 UTC |
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NP-MRD ID | NP0335433 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one |
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Description | (3Beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review very few articles have been published on (3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one. |
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Structure | CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1 InChI=1/C29H46O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,20-23,30-32H,7-16H2,1-6H3 |
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Synonyms | Value | Source |
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(3b,17a,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one | Generator | (3Β,17α,23S,24S)-17,23-epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one | Generator |
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Chemical Formula | C29H46O5 |
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Average Mass | 474.6820 Da |
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Monoisotopic Mass | 474.33452 Da |
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IUPAC Name | 7-hydroxy-6-(hydroxymethyl)-5'-(1-hydroxypropyl)-3',3a,6,9a,11a-pentamethyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-3-one |
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Traditional Name | 7-hydroxy-6-(hydroxymethyl)-5'-(1-hydroxypropyl)-3',3a,6,9a,11a-pentamethyl-4,5,5a,7,8,9,10,11-octahydro-2H-spiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-3-one |
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CAS Registry Number | Not Available |
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SMILES | CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1 |
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InChI Identifier | InChI=1/C29H46O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,20-23,30-32H,7-16H2,1-6H3 |
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InChI Key | FGFZDTLKZFGANR-UHFFFAOYNA-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 | Not Available |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six 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 | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- 24-hydroxysteroid
- 3-hydroxysteroid
- Hydroxysteroid
- 15-oxosteroid
- Oxosteroid
- Steroid
- Cyclic alcohol
- Tetrahydrofuran
- Ketone
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Ether
- Dialkyl ether
- Primary alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic 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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