| 2D Structure | |
| CID | 5281320 |
| IUPAC Name | (2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one |
| InChI | InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1 |
| InChI Key | AOHIGMQGPFTKQX-QZPKXHNASA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C30H46O7 |
| Molecular Weight | 518.7 |
| synonyms | ['Cucurbitacin F', '5939-57-1', 'X8WI6P1NLN', '(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one', 'DTXSID301317374', 'NSC-251680', '19-Norlanosta-5,23-diene-11,22-dione, 2,3,16,20,25-pentahydroxy-9-methyl-, (2beta,3alpha,9beta,10alpha,16alpha,23E)-', '(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-((E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta(a)phenanthren-11-one', 'DTXCID401747190', 'CHEBI:3945', 'UNII-X8WI6P1NLN', 'CCRIS 7546', 'NSC 251680', 'CUCURBITACINE F', 'CHEMBL488312', 'SCHEMBL29791213', 'LMST01010108', '2,3,16,20,25-Pentahydroxy-9-methyl-19-norlanosta-5,23-diene-11,22-dione (2beta,3alpha,9beta,10alpha,16alpha,23E)-', 'C08798', 'Q27106263', '19-NORLANOSTA-5,23-DIENE-11,22-DIONE, 2,3,16,20,25-PENTAHYDROXY-9-METHYL-, (2.BETA.,3.ALPHA.,9.BETA.,10.ALPHA.,16.ALPHA.,23E)-'] |
From Pubchem