(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid

CAS Registry Number®

116425-30-0
No image available.

CAS Name

(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid

Molecular Formula

C27H36O5

Molecular Mass

440.57

Cite this Page

(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116425-30-0 (retrieved 2024-05-19) (CAS RN: 116425-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36O5/c1-18(13-16-28)11-12-21-19(2)17-22(32-24(29)20-9-6-5-7-10-20)23-26(21,3)14-8-15-27(23,4)25(30)31/h5-7,9-10,13,21-23,28H,2,8,11-12,14-17H2,1,3-4H3,(H,30,31)/b18-13+/t21-,22-,23-,26-,27-/m1/s1

InChIKey

InChIKey=GIQOHSBJFWWSAH-ZYEVQTAUSA-N

SMILES

C[C@]12[C@@]([C@H](OC(=O)C3=CC=CC=C3)CC(=C)[C@H]1CC/C(=C/CO)/C)([C@@](C(O)=O)(C)CCC2)[H]

Canonical SMILES

O=C(OC1CC(=C)C(CCC(=CCO)C)C2(C)CCCC(C(=O)O)(C)C12)C=3C=CC=CC3

Other Names for this Substance

  • 1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5R,8R,8aR)-
  • 1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, [1R-[1α,4aβ,5α(E),8β,8aα]]-
  • 1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-pentenyl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5R,8R,8aR)-
  • (1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid
  • Scoparic acid A

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser