2-Pentenoic acid, 3-methyl-, octahydro-1-(1-hydroxyethyl)-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1α(S*),3aβ,5β(E),7α,7aα]]-

CAS Registry Number®

147742-07-2
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CAS Name

2-Pentenoic acid, 3-methyl-, octahydro-1-(1-hydroxyethyl)-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1α(S*),3aβ,5β(E),7α,7aα]]-

Molecular Formula

C21H32O4

Molecular Mass

348.48

Cite this Page

2-Pentenoic acid, 3-methyl-, octahydro-1-(1-hydroxyethyl)-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1α(S*),3aβ,5β(E),7α,7aα]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147742-07-2 (retrieved 2024-09-20) (CAS RN: 147742-07-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O4/c1-7-12(4)8-19(24)25-18-10-15(11(2)3)21-16(13(18)5)9-17(23)20(21)14(6)22/h8,11,14-16,18,20-22H,5,7,9-10H2,1-4,6H3/b12-8+/t14-,15+,16+,18-,20+,21+/m1/s1

InChIKey

InChIKey=AIZCSTFUIXPHFD-OCHUNZHGSA-N

SMILES

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

Canonical SMILES

O=C(OC1C(=C)C2CC(=O)C(C(O)C)C2C(C1)C(C)C)C=C(C)CC

Other Names for this Substance

  • 2-Pentenoic acid, 3-methyl-, octahydro-1-(1-hydroxyethyl)-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1α(S*),3aβ,5β(E),7α,7aα]]-