(4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate

CAS Registry Number®

182127-79-3
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CAS Name

(4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate

Molecular Formula

C24H32O7S

Molecular Mass

464.57

Cite this Page

(4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182127-79-3 (retrieved 2024-09-20) (CAS RN: 182127-79-3).  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)22(26)31-21-20-14(3)23(27)30-18(20)12-16-8-9-17(15(4)24(16,21)5)29-19(25)10-11-32(6)28/h7,10-11,15-18,21H,8-9,12H2,1-6H3/b11-10+,13-7-/t15-,16+,17-,18+,21+,24+,32+/m0/s1

InChIKey

InChIKey=VIUDBOBKMBZVGZ-IVBSSVFWSA-N

SMILES

C[C@]12[C@H](OC(/C(=C\C)/C)=O)C=3[C@@](C[C@]1(CC[C@H](OC(/C=C/S(C)=O)=O)[C@@H]2C)[H])(OC(=O)C3C)[H]

Canonical SMILES

O=C(OC1CCC2CC3OC(=O)C(=C3C(OC(=O)C(=CC)C)C2(C)C1C)C)C=CS(=O)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-3,4a,5-trimethyl-6-[[3-(methylsulfinyl)-1-oxo-2-propenyl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,6α[E(S*)],8aα,9aβ]]-
  • 2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propenyl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl ester, (2Z)-
  • (4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate
  • Eremosulfoxinolide A