(1S,4aS,5R,7S,9R,10aS)-1,4,4a,5,6,7,8,9,10,10a-Decahydro-7-hydroxy-5-(methoxycarbonyl)-1,4a,7,9-tetramethyl-11-methylene-2-(1-methylethenyl)-6,8-dioxo-5,9-methanobenzocyclooctene-1-propanoic acid

CAS Registry Number®

1334495-43-0

CAS Name

(1S,4aS,5R,7S,9R,10aS)-1,4,4a,5,6,7,8,9,10,10a-Decahydro-7-hydroxy-5-(methoxycarbonyl)-1,4a,7,9-tetramethyl-11-methylene-2-(1-methylethenyl)-6,8-dioxo-5,9-methanobenzocyclooctene-1-propanoic acid

Molecular Formula

C26H34O7

Molecular Mass

458.54

Cite this Page

(1S,4aS,5R,7S,9R,10aS)-1,4,4a,5,6,7,8,9,10,10a-Decahydro-7-hydroxy-5-(methoxycarbonyl)-1,4a,7,9-tetramethyl-11-methylene-2-(1-methylethenyl)-6,8-dioxo-5,9-methanobenzocyclooctene-1-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1334495-43-0 (retrieved 2025-01-07) (CAS RN: 1334495-43-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H34O7/c1-14(2)16-9-12-24(6)17(22(16,4)11-10-18(27)28)13-23(5)15(3)26(24,21(31)33-8)20(30)25(7,32)19(23)29/h9,17,32H,1,3,10-13H2,2,4-8H3,(H,27,28)/t17-,22+,23+,24-,25-,26-/m0/s1

InChIKey

InChIKey=HBZLILHFZMWEGE-QFRJCEMRSA-N

SMILES

C(OC)(=O)[C@]12[C@]3(C)[C@]([C@@](CCC(O)=O)(C)C(C(C)=C)=CC3)(C[C@](C)(C1=C)C(=O)[C@](C)(O)C2=O)[H]

Canonical SMILES

O=C(O)CCC1(C(=CCC2(C)C1CC3(C(=O)C(O)(C(=O)C2(C(=O)OC)C3=C)C)C)C(=C)C)C

Other Names for this Substance

  • 5,9-Methanobenzocyclooctene-1-propanoic acid, 1,4,4a,5,6,7,8,9,10,10a-decahydro-7-hydroxy-5-(methoxycarbonyl)-1,4a,7,9-tetramethyl-11-methylene-2-(1-methylethenyl)-6,8-dioxo-, (1S,4aS,5R,7S,9R,10aS)-
  • (1S,4aS,5R,7S,9R,10aS)-1,4,4a,5,6,7,8,9,10,10a-Decahydro-7-hydroxy-5-(methoxycarbonyl)-1,4a,7,9-tetramethyl-11-methylene-2-(1-methylethenyl)-6,8-dioxo-5,9-methanobenzocyclooctene-1-propanoic acid
  • Berkeleyone C

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