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

CAS Registry Number®

147742-08-3

CAS Name

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

Molecular Formula

C22H32O5

Molecular Mass

376.49

Cite this Page

2-Butenoic acid, 2-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1α(S*),3aβ,5β(Z),7α,7aα]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147742-08-3 (retrieved 2024-11-24) (CAS RN: 147742-08-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H32O5/c1-8-12(4)22(25)27-19-10-16(11(2)3)21-17(13(19)5)9-18(24)20(21)14(6)26-15(7)23/h8,11,14,16-17,19-21H,5,9-10H2,1-4,6-7H3/b12-8-/t14-,16+,17+,19-,20+,21+/m1/s1

InChIKey

InChIKey=ZYTJBCOGBFUTOP-SGLZWHJSSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1α(S*),3aβ,5β(Z),7α,7aα]]-
  • 14-Acetoxy-7β-angeloyloxynotonipetranone

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