16,24-Cycloergost-22-en-26-oic acid, 1,11,12-tris(acetyloxy)-2,3-epoxy-7,15,23,25-tetrahydroxy-6-oxo-, γ-lactone, (1α,2α,3α,5α,7β,11α,12α,15α,16β,24β,25S)-

CAS Registry Number®

108885-69-4
No image available.

CAS Name

16,24-Cycloergost-22-en-26-oic acid, 1,11,12-tris(acetyloxy)-2,3-epoxy-7,15,23,25-tetrahydroxy-6-oxo-, γ-lactone, (1α,2α,3α,5α,7β,11α,12α,15α,16β,24β,25S)-

Molecular Formula

C34H44O13

Molecular Mass

660.71

Cite this Page

16,24-Cycloergost-22-en-26-oic acid, 1,11,12-tris(acetyloxy)-2,3-epoxy-7,15,23,25-tetrahydroxy-6-oxo-, γ-lactone, (1α,2α,3α,5α,7β,11α,12α,15α,16β,24β,25S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108885-69-4 (retrieved 2024-08-08) (CAS RN: 108885-69-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H44O13/c1-11-9-17-33(7,34(8,42)30(41)47-17)22-19(11)32(6)20(25(22)40)18-21(27(43-12(2)35)29(32)45-14(4)37)31(5)15(23(38)24(18)39)10-16-26(46-16)28(31)44-13(3)36/h9,11,15-16,18-22,24-29,39-40,42H,10H2,1-8H3/t11-,15-,16+,18+,19+,20-,21-,22+,24-,25-,26+,27+,28+,29+,31+,32-,33+,34-/m1/s1

InChIKey

InChIKey=FFQOXBQSZPYHSA-MPOUNFKCSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@@]5([C@@]([C@@H]4O)([C@]6(C)C(=C[C@H]5C)OC(=O)[C@@]6(C)O)[H])[H])[H])([C@@H](O)C(=O)[C@]1(C[C@]7([C@@]([C@@H]2OC(C)=O)(O7)[H])[H])[H])[H])[H]

Canonical SMILES

O=C(OC1C(OC(=O)C)C2(C)C(C(O)C3C2C(C=C4OC(=O)C(O)(C)C43C)C)C5C(O)C(=O)C6CC7OC7C(OC(=O)C)C6(C)C15)C

Other Names for this Substance

  • 16,24-Cycloergost-22-en-26-oic acid, 1,11,12-tris(acetyloxy)-2,3-epoxy-7,15,23,25-tetrahydroxy-6-oxo-, γ-lactone, (1α,2α,3α,5α,7β,11α,12α,15α,16β,24β,25S)-
  • Taccalonolide B
  • 15-O-Deacetyltaccalonolide A

Deleted or Replaced CAS Registry Numbers

117783-25-2