2-Pentenoic acid, 3-methyl-, (1S,3Z,3aS,4S,6R,7aR)-3-ethylideneoctahydro-7-methylene-4-(1-methylethyl)-2-oxo-1H-indene-1,6-diyl ester, (2E,2′E)-

CAS Registry Number®

237407-03-3

CAS Name

2-Pentenoic acid, 3-methyl-, (1S,3Z,3aS,4S,6R,7aR)-3-ethylideneoctahydro-7-methylene-4-(1-methylethyl)-2-oxo-1H-indene-1,6-diyl ester, (2E,2′E)-

Molecular Formula

C27H38O5

Molecular Mass

442.59

Cite this Page

2-Pentenoic acid, 3-methyl-, (1S,3Z,3aS,4S,6R,7aR)-3-ethylideneoctahydro-7-methylene-4-(1-methylethyl)-2-oxo-1H-indene-1,6-diyl ester, (2E,2′E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=237407-03-3 (retrieved 2025-02-24) (CAS RN: 237407-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H38O5/c1-9-16(6)12-22(28)31-21-14-20(15(4)5)25-19(11-3)26(30)27(24(25)18(21)8)32-23(29)13-17(7)10-2/h11-13,15,20-21,24-25,27H,8-10,14H2,1-7H3/b16-12+,17-13+,19-11-/t20-,21+,24-,25-,27-/m0/s1

InChIKey

InChIKey=JIHQHYGTRUPAHN-JEOJJMGSSA-N

SMILES

C(\C)=C\1/[C@@]2([C@@]([C@H](OC(/C=C(/CC)\C)=O)C1=O)(C(=C)[C@H](OC(/C=C(/CC)\C)=O)C[C@H]2[C@H](C)C)[H])[H]

Canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C=C(C)CC)C(=O)C(=CC)C2C(C1)C(C)C)C=C(C)CC

Other Names for this Substance

  • 2-Pentenoic acid, 3-methyl-, (1S,3Z,3aS,4S,6R,7aR)-3-ethylideneoctahydro-7-methylene-4-(1-methylethyl)-2-oxo-1H-indene-1,6-diyl ester, (2E,2′E)-

CAS INSIGHTSTM
Samples on a microarray, illustration