Record Information |
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Version | 2.0 |
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Created at | 2022-09-05 12:37:34 UTC |
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Updated at | 2022-09-05 12:37:34 UTC |
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NP-MRD ID | NP0213595 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r,6s,6as,10ar,10br)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1h,2h,6h,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-6-yl (2z)-2-methylbut-2-enoate |
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Description | (2R)-2-(Furan-3-yl)-6alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-7,7,10abeta-trimethyl-1,4,6,6aalpha,7,8,9,10,10a,10balpha-decahydro-2H-naphtho[2,1-c]pyran-4-one belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Based on a literature review very few articles have been published on (2R)-2-(Furan-3-yl)-6alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-7,7,10abeta-trimethyl-1,4,6,6aalpha,7,8,9,10,10a,10balpha-decahydro-2H-naphtho[2,1-c]pyran-4-one. |
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Structure | C\C=C(\C)C(=O)O[C@H]1C=C2[C@H](C[C@@H](OC2=O)C2=COC=C2)[C@@]2(C)CCCC(C)(C)[C@H]12 InChI=1S/C25H32O5/c1-6-15(2)22(26)30-20-12-17-18(25(5)10-7-9-24(3,4)21(20)25)13-19(29-23(17)27)16-8-11-28-14-16/h6,8,11-12,14,18-21H,7,9-10,13H2,1-5H3/b15-6-/t18-,19+,20-,21-,25+/m0/s1 |
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Synonyms | Value | Source |
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(2R)-2-(Furan-3-yl)-6a-[[(Z)-2-methyl-2-butenoyl]oxy]-7,7,10abeta-trimethyl-1,4,6,6aalpha,7,8,9,10,10a,10balpha-decahydro-2H-naphtho[2,1-c]pyran-4-one | Generator | (2R)-2-(Furan-3-yl)-6α-[[(Z)-2-methyl-2-butenoyl]oxy]-7,7,10abeta-trimethyl-1,4,6,6aalpha,7,8,9,10,10a,10balpha-decahydro-2H-naphtho[2,1-c]pyran-4-one | Generator |
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Chemical Formula | C25H32O5 |
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Average Mass | 412.5260 Da |
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Monoisotopic Mass | 412.22497 Da |
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IUPAC Name | (2R,6S,6aS,10aR,10bR)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1H,2H,4H,6H,6aH,7H,8H,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-6-yl (2Z)-2-methylbut-2-enoate |
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Traditional Name | (2R,6S,6aS,10aR,10bR)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1H,2H,6H,6aH,8H,9H,10H,10bH-naphtho[2,1-c]pyran-6-yl (2Z)-2-methylbut-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | C\C=C(\C)C(=O)O[C@H]1C=C2[C@H](C[C@@H](OC2=O)C2=COC=C2)[C@@]2(C)CCCC(C)(C)[C@H]12 |
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InChI Identifier | InChI=1S/C25H32O5/c1-6-15(2)22(26)30-20-12-17-18(25(5)10-7-9-24(3,4)21(20)25)13-19(29-23(17)27)16-8-11-28-14-16/h6,8,11-12,14,18-21H,7,9-10,13H2,1-5H3/b15-6-/t18-,19+,20-,21-,25+/m0/s1 |
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InChI Key | KNVFODWKKUZNMG-FMFYNYCMSA-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 | Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. |
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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 | Terpene lactones |
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Direct Parent | Diterpene lactones |
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Alternative Parents | |
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Substituents | - Diterpene lactone
- Diterpenoid
- Clerodane diterpenoid
- Naphthopyran
- Naphthalene
- Delta valerolactone
- Fatty acid ester
- Delta_valerolactone
- Dicarboxylic acid or derivatives
- Fatty acyl
- Oxane
- Pyran
- Alpha,beta-unsaturated carboxylic ester
- Furan
- Heteroaromatic compound
- Enoate ester
- Lactone
- Carboxylic acid ester
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid derivative
- Organooxygen compound
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic 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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