Chem
J-GLOBAL ID:200907025624473577   Nikkaji number:J1.604.723F

(4aS)-4aβ,8aα-Dimethyl-1,2,3,4,4a,4bβ,5,6,7,8,8a,10aα-dodecahydrophenanthrene-1,2,7-tricarboxylic acid trimethyl ester

(4aS)-4aβ,8aα-ジメチル-1,2,3,4,4a,4bβ,5,6,7,8,8a,10aα-ドデカヒドロフェナントレン-1,2,7-トリカルボン酸トリメチル
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: C22H32O6
Molecular formula furigana: C22-H32-O6
Molecular weight: 392.492
InChI: InChI=1S/C22H32O6/c1-21-10-9-15-17(20(25)28-5)14(19(24)27-4)8-11-22(15,2)16(21)7-6-13(12-21)18(23)26-3/h9-10,13-17H,6-8,11-12H2,1-5H3/t13?,14?,15-,16+,17?,21+,22-/m0/s1
InChI key: ARKQMCQGPDUBFJ-JIEQDFCLSA-N
SMILES: COC(=O)C1CC[C@@H]2[C@@](C)(C1)C=C[C@H]1C(C(CC[C@]21C)C(=O)OC)C(=O)OC
Systematic name  (3):
  • (4aS)-4aβ,8aα-ジメチル-1,2,3,4,4a,4bβ,5,6,7,8,8a,10aα-ドデカヒドロフェナントレン-1,2,7-トリカルボン酸トリメチル
  • 1,2,7-トリメチル (4aS,4bR,8aS,10aS)-4a,8a-ジメチル-1,2,3,4,4a,4b,5,6,7,8,8a,10a-ドデカヒドロフェナントレン-1,2,7-トリカルボキシラート
  • 1,2,7-trimethyl (4aS,4bR,8aS,10aS)-4a,8a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydrophenanthrene-1,2,7-tricarboxylate
Other name (1):
  • (4aS)-4aβ,8aα-Dimethyl-1,2,3,4,4a,4bβ,5,6,7,8,8a,10aα-dodecahydrophenanthrene-1,2,7-tricarboxylic acid trimethyl ester
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