Chem
J-GLOBAL ID：200907040671135115
Nikkaji number：J1.097.582D
Sitosterol cis-ferulate
シトステロールcis-フェルラート
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： C39H58O4
Molecular formula furigana： C39-H58-O4
Molecular weight： 590.889
InChI：
InChI=1S/C39H58O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,13,17-18,23,25-26,28,30-34,40H,8-9,12,14-16,19-22,24H2,1-7H3/b18-11-/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1
InChI key：
ROUSJNZGMHNWOS-IVIFPFBZSA-N
SMILES：
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)/C=C\c1ccc(O)c(OC)c1)C(C)C
Systematic name (3)：
- (Z)-3-(4-ヒドロキシ-3-メトキシフェニル)プロペン酸スチグマスタ-5-エン-3β-イル
- (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-エチル-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-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-7-イル (2Z)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
- (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- (Z)-3-(4-Hydroxy-3-methoxyphenyl)propenoic acid stigmast-5-en-3β-yl ester
- シトステロールcis-フェルラート
- Sitosterol cis-ferulate
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