(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
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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 acidMolecular Formula
C27H36O5Molecular Mass
440.57Cite 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 ) (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