Chem
J-GLOBAL ID：200907086255316623
Nikkaji number：J779.132A
Olean-12-ene-3β,16α,22α,23,28-pentol 22-[(E)-2-methyl-2-butenoate]
オレアナ-12-エン-3β,16α,22α,23,28-ペンタオール22-[(E)-2-メチル-2-ブテノアート]
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
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
Molecular formula： C35H56O6
Molecular formula furigana： C35-H56-O6
Molecular weight： 572.827
InChI：
InChI=1S/C35H56O6/c1-9-21(2)29(40)41-28-18-30(3,4)16-23-22-10-11-25-31(5)14-13-26(38)32(6,19-36)24(31)12-15-33(25,7)34(22,8)17-27(39)35(23,28)20-37/h9-10,23-28,36-39H,11-20H2,1-8H3/b21-9+/t23-,24+,25+,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1
InChI key：
RPSLXXWKLIPBRX-QVBZILOSSA-N
SMILES：
C/C=C(\C)/C(=O)O[C@H]1CC(C)(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)C[C@@H](O)[C@@]12CO
Systematic name (3)：
- オレアナ-12-エン-3β,16α,22α,23,28-ペンタオール22-[(E)-2-メチル-2-ブテノアート]
- (4S,4aR,5R,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-5,10-ジヒドロキシ-4a,9-ビス(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-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-4-イル (2E)-2-メチルブタ-2-エノアート
- (4S,4aR,5R,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-5,10-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl (2E)-2-methylbut-2-enoate
- Olean-12-ene-3β,16α,22α,23,28-pentol 22-[(E)-2-methyl-2-butenoate]
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