Return to Results

(1R,2S,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-2-yl 2-methylpropanoate

CAS Registry Number®

79495-90-2

CAS Name

(1R,2S,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-2-yl 2-methylpropanoate

Molecular Formula

C28H42O9

Molecular Mass

522.63

Cite this Page

(1R,2S,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-2-yl 2-methylpropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79495-90-2 (retrieved 2025-06-20) (CAS RN: 79495-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H42O9/c1-15(2)24(31)36-21-8-7-20-26(6,22-12-19-9-10-32-25(19)37-22)16(3)11-23(35-18(5)30)27(20,13-33-17(4)29)28(21)14-34-28/h15-16,19-23,25H,7-14H2,1-6H3/t16-,19-,20-,21+,22+,23+,25+,26+,27+,28-/m1/s1

InChIKey

InChIKey=PWKXWHAZACEABO-LIPLWNDUSA-N

SMILES

C(OC(C)=O)[C@]12[C@]3([C@@H](OC(C(C)C)=O)CC[C@@]1([C@](C)([C@H](C)C[C@@H]2OC(C)=O)[C@@]4(C[C@@]5([C@](O4)(OCC5)[H])[H])[H])[H])CO3

Canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OCCC4C3)C2CCC(OC(=O)C(C)C)C51OC5)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-2-yl ester
  • Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3β)-
  • (1R,2S,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-2-yl 2-methylpropanoate
  • Ivain II
  • Propanoic acid, 2-methyl-, 8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-(hexahydrofuro[2,3-b]furan-2-yl)octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-2-yl ester, [1R-[1α,2β,4aβ,5β(2S*,3aR*,6aS*),6α,8α,8aα]]-

CAS INSIGHTSTM
Purple and red filaments produced by electrostatic discharge inside a plasma ball.