(1S,3aR,5R,7S,7aS)-Octahydro-1-[(1R)-1-hydroxyethyl]-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl 3-methylbutanoate

CAS Registry Number®

348113-04-2

CAS Name

(1S,3aR,5R,7S,7aS)-Octahydro-1-[(1R)-1-hydroxyethyl]-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl 3-methylbutanoate

Molecular Formula

C20H32O4

Molecular Mass

336.47

Cite this Page

(1S,3aR,5R,7S,7aS)-Octahydro-1-[(1R)-1-hydroxyethyl]-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=348113-04-2 (retrieved 2025-01-07) (CAS RN: 348113-04-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H32O4/c1-10(2)7-18(23)24-17-9-14(11(3)4)20-15(12(17)5)8-16(22)19(20)13(6)21/h10-11,13-15,17,19-21H,5,7-9H2,1-4,6H3/t13-,14+,15+,17-,19+,20+/m1/s1

InChIKey

InChIKey=RJNJFKDVPIFVPQ-WCJJETLUSA-N

SMILES

[C@H](C)(O)[C@@]1([C@@]2([C@](C(=C)[C@H](OC(CC(C)C)=O)C[C@H]2[C@H](C)C)(CC1=O)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (1S,3aR,5R,7S,7aS)-octahydro-1-[(1R)-1-hydroxyethyl]-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester
  • (1S,3aR,5R,7S,7aS)-Octahydro-1-[(1R)-1-hydroxyethyl]-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl 3-methylbutanoate
  • (14R)-Hydroxy-7β-isovaleroyloxyoplop-8(10)-en-2-one

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