Asclepin

CAS Registry Number®

36573-63-4

CAS Name

Asclepin

Molecular Formula

C31H42O10

Molecular Mass

574.66

Cite this Page

Asclepin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36573-63-4 (retrieved 2024-11-30) (CAS RN: 36573-63-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1

InChIKey

InChIKey=OXKMZIABKYHLAR-SVDYBJNLSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5COC(=O)C5)(CC[C@]1(C[C@@]6([C@@](C2)(O[C@]7(O)[C@](O6)(O[C@H](C)C[C@@H]7OC(C)=O)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=CC12CC3OC4(O)C(OC(C)CC4OC(=O)C)OC3CC2CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O

Other Names for this Substance

  • Card-20(22)-enolide, 2,3-[[(2S,3S,4S,6R)-4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-, (2α,3β,5α)-
  • (2α,3β,5α)-2,3-[[(2S,3S,4S,6R)-4-(Acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide
  • Asclepin
  • Card-20(22)-enolide, 2,3-[[4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-, [2α(2S,3S,4S,6R),3β,5α]-
  • Asclepiadin

Deleted or Replaced CAS Registry Numbers

1395-13-7

CAS INSIGHTSTM
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