Chem
J-GLOBAL ID：200907061799631643   Nikkaji number：J470.691I

(1S)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-Icosahydro-1β,2α,6aα,6bβ,9,9,12aβ-heptamethyl-10β,11β-dihydroxypicene-4aβ-carboxylic acid

(1S)-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-1β,2α,6aα,6bβ,9,9,12aβ-ヘプタメチル-10β,11β-ジヒドロキシピセン-4aβ-カルボン酸
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20+,21?,22?,23?,24+,27+,28-,29-,30+/m1/s1
InChI key： HFGSQOYIOKBQOW-RRKDLZNRSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(=O)O
Systematic name  (3)：
  • (1S)-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-1β,2α,6aα,6bβ,9,9,12aβ-ヘプタメチル-10β,11β-ジヒドロキシピセン-4aβ-カルボン酸
  • (1S,2R,4aS,6aS,6bR,10R,11S,12aR)-10,11-ジヒドロキシ-1,2,6a,6b,9,9,12a-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-4a-カルボン酸
  • (1S,2R,4aS,6aS,6bR,10R,11S,12aR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (1)：
  • (1S)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-Icosahydro-1β,2α,6aα,6bβ,9,9,12aβ-heptamethyl-10β,11β-dihydroxypicene-4aβ-carboxylic acid
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