Chem
J-GLOBAL ID：200907054201334627
Nikkaji number：J1.333.521D
(24S)-2α-Hydroxy-3β,24-epoxy-24-ethoxyfriedelane-29-oic acid
(24S)-2α-ヒドロキシ-3β,24-エポキシ-24-エトキシフリーデラン-29-酸
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： C32H52O5
Molecular formula furigana： C32-H52-O5
Molecular weight： 516.763
InChI：
InChI=1S/C32H52O5/c1-8-36-26-32-10-9-21-29(5,22(32)17-20(33)24(37-26)19(32)2)14-16-31(7)23-18-28(4,25(34)35)12-11-27(23,3)13-15-30(21,31)6/h19-24,26,33H,8-18H2,1-7H3,(H,34,35)/t19-,20+,21-,22-,23+,24+,26-,27+,28+,29+,30+,31-,32-/m0/s1
InChI key：
MILUXBBEUPIOMH-BFPIBJIZSA-N
SMILES：
CCO[C@H]1O[C@@H]2[C@H](C)[C@@]31CC[C@H]1[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]14C)C(=O)O)[C@@H]3C[C@H]2O
Systematic name (3)：
- (24S)-2α-ヒドロキシ-3β,24-エポキシ-24-エトキシフリーデラン-29-酸
- (1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R,23S,24R)-23-エトキシ-20-ヒドロキシ-5,8,11,14,17,24-ヘキサメチル-22-オキサヘキサシクロ[19.2.1.01,18.04,17.05,14.08,13]テトラコサン-11-カルボン酸
- (1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R,23S,24R)-23-ethoxy-20-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid
- (24S)-2α-Hydroxy-3β,24-epoxy-24-ethoxyfriedelane-29-oic acid
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