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

CAS Registry Number®

189100-15-0
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CAS Name

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

Molecular Formula

C24H32O7S

Molecular Mass

464.57

Cite this Page

2-Butenoic acid, 2-methyl-, (3S,3aS,4S,4aS,5R,6S,8aR,9aS)-decahydro-3,4a,5-trimethyl-6-[[(2Z)-3-(methylthio)-1-oxo-2-propenyl]oxy]-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, (2Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189100-15-0 (retrieved 2024-09-20) (CAS RN: 189100-15-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O7S/c1-7-13(2)19(26)29-21-22(5)14(3)17(28-18(25)10-11-32-6)9-8-16(22)12-23-24(21,31-23)15(4)20(27)30-23/h7,10-11,14-17,21H,8-9,12H2,1-6H3/b11-10-,13-7-/t14-,15+,16+,17-,21-,22+,23+,24-/m0/s1

InChIKey

InChIKey=DDMWYCBISCBTIJ-OVYDZPJRSA-N

SMILES

O(C(/C(=C\C)/C)=O)[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(=O)C(=CC)C)C2(C)C1C)C=CSC

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (3S,3aS,4S,4aS,5R,6S,8aR,9aS)-decahydro-3,4a,5-trimethyl-6-[[(2Z)-3-(methylthio)-1-oxo-2-propenyl]oxy]-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, decahydro-3,4a,5-trimethyl-6-[[3-(methylthio)-1-oxo-2-propenyl]oxy]-2-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, [3S-[3α,3aα,4α(Z),4aα,5α,6α(Z),8aα,9aα]]-
  • (-)-Eremopetasitenin B
  • Eremopetasitenin B 2