(2α,3β,5α,7β,11α)-7,8-Epoxy-11,14-dihydroxy-2,3-[[(6S,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-12-oxocard-20(22)-enolide

CAS Registry Number®

66419-07-6

CAS Name

(2α,3β,5α,7β,11α)-7,8-Epoxy-11,14-dihydroxy-2,3-[[(6S,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-12-oxocard-20(22)-enolide

Molecular Formula

C31H39NO10S

Molecular Mass

617.71

Cite this Page

(2α,3β,5α,7β,11α)-7,8-Epoxy-11,14-dihydroxy-2,3-[[(6S,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-12-oxocard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66419-07-6 (retrieved 2025-02-22) (CAS RN: 66419-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3

InChIKey

InChIKey=BGKAKFOJZRBENJ-UHFFFAOYSA-N

SMILES

OC12C34C(C5(C)C(CC3O4)CC6C(C5)OC7(O)C(O6)OC(C)CC78N=CCS8)C(O)C(=O)C1(C)C(CC2)C9=CC(=O)OC9

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C45OC5CC6CC7OC8OC(C)CC9(N=CCS9)C8(O)OC7CC6(C)C4C(O)C(=O)C23C

Other Names for this Substance

  • Card-20(22)-enolide, 7,8-epoxy-11,14-dihydroxy-2,3-[[(6S,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-12-oxo-, (2α,3β,5α,7β,11α)-
  • Card-20(22)-enolide, 7,8-epoxy-11,14-dihydroxy-2,3-[(6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl)bis(oxy)]-12-oxo-, [2α(6S,7S,9R),3β,5α,7β,11α]-
  • (2α,3β,5α,7β,11α)-7,8-Epoxy-11,14-dihydroxy-2,3-[[(6S,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-12-oxocard-20(22)-enolide
  • Labriformin
  • Labriformine

CAS INSIGHTSTM
Samples on a microarray, illustration