(1α,4aα,4bβ,10β)-10-Formyl-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid

CAS Registry Number®

85344-33-8
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CAS Name

(1α,4aα,4bβ,10β)-10-Formyl-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid

Molecular Formula

C20H28O4

Molecular Mass

332.43

Cite this Page

(1α,4aα,4bβ,10β)-10-Formyl-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85344-33-8 (retrieved 2024-09-19) (CAS RN: 85344-33-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O4/c1-12-9-19-11-20(12,24)8-5-14(19)17(2)6-4-7-18(3,16(22)23)15(17)13(19)10-21/h10,13-15,24H,1,4-9,11H2,2-3H3,(H,22,23)/t13-,14-,15-,17-,18+,19+,20-/m0/s1

InChIKey

InChIKey=DHEPJQQWDJWPJY-XQIDNCIUSA-N

SMILES

C(=O)[C@@H]1[C@]23[C@]([C@@]4(C)[C@]1([C@@](C(O)=O)(C)CCC4)[H])(CC[C@](O)(C2)C(=C)C3)[H]

Canonical SMILES

O=CC1C2C(C(=O)O)(C)CCCC2(C)C3CCC4(O)C(=C)CC13C4

Other Names for this Substance

  • Gibbane-1-carboxylic acid, 10-formyl-7-hydroxy-1,4a-dimethyl-8-methylene-, (1α,4aα,4bβ,10β)-
  • 1H-7,9a-Methanobenz[a]azulene, gibbane-1-carboxylic acid deriv.
  • (1α,4aα,4bβ,10β)-10-Formyl-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
  • Gibberellin A53-aldehyde
  • GA53 aldehyde