2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[(1Z)-2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, (1R,4aS,8aR)-rel-(+)-

CAS Registry Number®

197799-63-6
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CAS Name

2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[(1Z)-2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, (1R,4aS,8aR)-rel-(+)-

Molecular Formula

C21H26O7

Molecular Mass

390.43

Cite this Page

2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[(1Z)-2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, (1R,4aS,8aR)-rel-(+)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=197799-63-6 (retrieved 2024-09-19) (CAS RN: 197799-63-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H26O7/c1-10(2)11(18(25)27-5)9-12-13(17(23)24)21-8-6-7-20(3,4)16(21)15(14(12)22)28-19(21)26/h9-10,15-16H,6-8H2,1-5H3,(H,23,24)/b11-9-/t15-,16+,21+/m1/s1

InChIKey

InChIKey=CAXSJVGHYYBJKT-GVXCCEMESA-N

SMILES

C(O)(=O)C=1[C@@]23[C@@]([C@](OC2=O)(C(=O)C1/C=C(\C(OC)=O)/C(C)C)[H])(C(C)(C)CCC3)[H]

Canonical SMILES

O=C(O)C1=C(C=C(C(=O)OC)C(C)C)C(=O)C2OC(=O)C13CCCC(C)(C)C23

Other Names for this Substance

  • 2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[(1Z)-2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, (1R,4aS,8aR)-rel-(+)-
  • 2H-1,4a-(Epoxymethano)naphthalene-4-carboxylic acid, 1,5,6,7,8,8a-hexahydro-3-[2-(methoxycarbonyl)-3-methyl-1-butenyl]-8,8-dimethyl-2,9-dioxo-, [1α,3(Z),4aα,8aβ]-(+)-
  • Rosmic acid