2-Propenoic acid, 3-(methylthio)-, (3R,3aR,4S,4aS,5R,6S,8aR,9aR)-decahydro-4-methoxy-3,4a,5-trimethyl-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-6-yl ester, (2Z)-

CAS Registry Number®

189100-11-6

CAS Name

2-Propenoic acid, 3-(methylthio)-, (3R,3aR,4S,4aS,5R,6S,8aR,9aR)-decahydro-4-methoxy-3,4a,5-trimethyl-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-6-yl ester, (2Z)-

Molecular Formula

C20H28O6S

Molecular Mass

396.50

Cite this Page

2-Propenoic acid, 3-(methylthio)-, (3R,3aR,4S,4aS,5R,6S,8aR,9aR)-decahydro-4-methoxy-3,4a,5-trimethyl-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-6-yl ester, (2Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189100-11-6 (retrieved 2025-02-21) (CAS RN: 189100-11-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O6S/c1-11-14(24-15(21)8-9-27-5)7-6-13-10-19-20(26-19,12(2)16(22)25-19)17(23-4)18(11,13)3/h8-9,11-14,17H,6-7,10H2,1-5H3/b9-8-/t11-,12-,13+,14-,17-,18+,19-,20+/m0/s1

InChIKey

InChIKey=ULNGGZOBSDELFB-ZRQLWAKNSA-N

SMILES

O(C)[C@@H]1[C@]23[C@@](O2)(C[C@@]4([C@@]1(C)[C@@H](C)[C@@H](OC(/C=C\SC)=O)CC4)[H])OC(=O)[C@@H]3C

Canonical SMILES

O=C(OC1CCC2CC34OC(=O)C(C)C4(O3)C(OC)C2(C)C1C)C=CSC

Other Names for this Substance

  • 2-Propenoic acid, 3-(methylthio)-, (3R,3aR,4S,4aS,5R,6S,8aR,9aR)-decahydro-4-methoxy-3,4a,5-trimethyl-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-6-yl ester, (2Z)-
  • 2-Propenoic acid, 3-(methylthio)-, decahydro-4-methoxy-3,4a,5-trimethyl-2-oxo-3a,9a-epoxynaphtho[2,3-b]furan-6-yl ester, [3R-[3α,3aα,4β,4aβ,5β,6β(Z),8aβ,9aα]]-
  • (-)-Eremopetasitenin A
  • Eremopetasitenin A 2

CAS INSIGHTSTM
Samples on a microarray, illustration