Chem
J-GLOBAL ID：200907047901836732   Nikkaji number：J16.895E

Cucurbitacin O

ククルビタシンO
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H46O7
Molecular formula furigana： C30-H46-O7
Molecular weight： 518.691
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/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1
InChI key： AOHIGMQGPFTKQX-SYJGCRHZSA-N
SMILES： CC(C)(O)C=CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Systematic name  (3)：
  • (10α)-2α,3α,16α,20,25-ペンタヒドロキシ-9β-メチル-19-ノルラノスタ-5,23-ジエン-11,22-ジオン
  • (1R,2R,3aS,3bS,7S,8R,9aR,9bR,11aR)-1-[(2R)-2,6-ジヒドロキシ-6-メチル-3-オキソヘプタ-4-エン-2-イル]-2,7,8-トリヒドロキシ-3a,6,6,9b,11a-ペンタメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-オン
  • (1R,2R,3aS,3bS,7S,8R,9aR,9bR,11aR)-1-[(2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (3)：
  • ククルビタシンO
  • Cucurbitacin O
  • (10α)-2α,3α,16α,20,25-Pentahydroxy-9β-methyl-19-norlanosta-5,23-diene-11,22-dione
CAS registry number： 25383-23-7
KEGG COMPOUND： C08803
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