Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate

CAS Registry Number®

66610-71-7
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CAS Name

Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate

Molecular Formula

C31H38O9

Molecular Mass

554.63

Cite this Page

Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66610-71-7 (retrieved 2024-09-20) (CAS RN: 66610-71-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H38O9/c1-16-25(29(6)11-9-22(34)28(4,5)21(29)14-24(35)36-8)26(38-17(2)32)27(39-18(3)33)30(7)20(19-10-12-37-15-19)13-23-31(16,30)40-23/h9-12,15,20-21,23,25-27H,1,13-14H2,2-8H3/t20-,21-,23+,25+,26-,27-,29-,30+,31+/m0/s1

InChIKey

InChIKey=RRBQYKQIAKFGIS-AMVRVENBSA-N

SMILES

C[C@@]12[C@]3([C@](O3)(C[C@H]1C=4C=COC4)[H])C(=C)[C@]([C@H](OC(C)=O)[C@@H]2OC(C)=O)([C@]5(C)[C@@H](CC(OC)=O)C(C)(C)C(=O)C=C5)[H]

Canonical SMILES

O=C(OC1C(OC(=O)C)C2(C)C(C3=COC=C3)CC4OC42C(=C)C1C5(C=CC(=O)C(C)(C)C5CC(=O)OC)C)C

Other Names for this Substance

  • 3-Cyclohexene-1-acetic acid, 2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-, methyl ester, (1R,2S)-
  • 24-Nor-6,7-secochola-1,7,20,22-tetraene-6-carboxylic acid, 11,12-bis(acetyloxy)-14,15:21,23-diepoxy-4,4-dimethyl-3-oxo-, methyl ester, (5β,11α,12α,13α,14β,15β,17α)-
  • Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate
  • Toonacilin
  • 3-Cyclohexene-1-acetic acid, 2-[4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-, methyl ester, [1aR-[1aα,3α,3aα,4α,5α,6β(1R*,2S*),7aS*]]-