Chem
J-GLOBAL ID:200907035043422691
Nikkaji number:J972.261K
Kudzusapogenol C
クズサポゲノールC
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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:
C30 H50 O3
Molecular formula furigana:
C30-H50-O3
Molecular weight:
458.727
InChI:
InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)17-24(25)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24-,26-,27-,28+,29+,30+/m0/s1
InChI key:
URRZRRQMNMZIAP-FMGQVEPTSA-N
SMILES:
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@@H]1O
Systematic name (3):
オレアナ-12-エン-3β,21β,24-トリオール
(3S,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bR)-9-(ヒドロキシメチル)-2,2,4a,6a,6b,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-3,10-ジオール
(3S,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bR)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,10-diol
Other name (3):
Oleana-12-ene-3β,21β,24-triol
クズサポゲノールC
Kudzusapogenol C
CAS registry number:
96820-47-2
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