Chem
J-GLOBAL ID：200907078206242344   Nikkaji number：J1.721.847F

Serofendic acid

セロフェンド酸
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： C21H34O4S
Molecular formula furigana： C21-H34-O4-S
Molecular weight： 382.560
InChI： InChI=1S/C21H34O4S/c1-19-7-4-8-20(2,18(23)24)15(19)6-10-21-9-5-13(11-16(19)21)14(17(21)22)12-26(3)25/h13-17,22H,4-12H2,1-3H3,(H,23,24)/t13-,14-,15-,16-,17+,19+,20+,21-,26?/m0/s1
InChI key： RSTMEZAVUUMLEO-OTPBFAOLSA-N
SMILES： CS(=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C2)[C@@H]1O
Systematic name  (4)：
  • (12S,16S)-15β-ヒドロキシ-17-(メチルスルフィニル)-13,16-セコ-12,16-シクロカウラン-18-酸
  • (5β,8α,9β,10α,12α)-15β-ヒドロキシ-17-(メチルスルフィニル)アチサン-18-酸
  • (1S,4S,5R,9S,10S,12S,13S,14R)-14-ヒドロキシ-13-(メタンスルフィニルメチル)-5,9-ジメチルテトラシクロ[10.2.2.01,10.04,9]ヘキサデカン-5-カルボン酸
  • (1S,4S,5R,9S,10S,12S,13S,14R)-14-hydroxy-13-(methanesulfinylmethyl)-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
Other name (8)：
  • (12S,16S)-15β-Hydroxy-17-(methylsulfinyl)-13,16-seco-12,16-cyclokaurane-18-oic acid
  • セロフェンド酸A
  • Serofendic acid A
  • (5β,8α,9β,10α,12α)-15β-Hydroxy-17-(methylsulfinyl)atisane-18-oic acid
  • セロフェンド酸
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