Taccalonolide A

CAS Registry Number®

108885-68-3

CAS Name

Taccalonolide A

Molecular Formula

C36H46O14

Molecular Mass

702.74

Cite this Page

Taccalonolide A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108885-68-3 (retrieved 2024-11-21) (CAS RN: 108885-68-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17-,18+,20+,21+,22-,23-,24+,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1

InChIKey

InChIKey=PTTJLTMUKRRHAT-VJAKQJMOSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@H](OC(C)=O)[C@@H]1OC(C)=O)([C@@]4(C)[C@@H](OC(C)=O)[C@@]5([C@](C[C@@]4(C(=O)[C@@H]3O)[H])(O5)[H])[H])[H])[H])([C@@H](OC(C)=O)[C@@]6([C@@]2([C@H](C)C=C7[C@]6(C)[C@](C)(O)C(=O)O7)[H])[H])[H]

Canonical SMILES

O=C(OC1C(OC(=O)C)C2(C)C(C(OC(=O)C)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, 1,11,12,15-tetrakis(acetyloxy)-2,3-epoxy-7,23,25-trihydroxy-6-oxo-, γ-lactone, (1α,2α,3α,5α,7β,11α,12α,15α,16β,24β,25S)-
  • Taccalonolide A
  • Taccalonolide
  • 15-O-Acetyltaccalonolide B

Deleted or Replaced CAS Registry Numbers

117783-26-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration