Grayanotoxin II

CAS Registry Number®

4678-44-8
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CAS Name

Grayanotoxin II

Molecular Formula

C20H32O5

Molecular Mass

352.47

Cite this Page

Grayanotoxin II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4678-44-8 (retrieved 2024-09-19) (CAS RN: 4678-44-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16?,18+,19-,20-/m0/s1

InChIKey

InChIKey=KEOQZUCOGXIEQR-BBLSUVPKSA-N

SMILES

OC1[C@@]23[C@](C(=C)[C@]4([C@](O)([C@H](O)C2)C(C)(C)[C@@H](O)C4)[H])(CC[C@]1([C@](C)(O)C3)[H])[H]

Canonical SMILES

OC1CC2C(=C)C3CCC4C(O)C3(CC(O)C2(O)C1(C)C)CC4(O)C

Other Names for this Substance

  • Grayanotox-10(20)-ene-3,5,6,14,16-pentol, (3β,6β,14R)-
  • Grayanotoxin II
  • 7,9a-Methano-9aH-cyclopenta[b]heptalene-2,8,11,11a,12(1H)-pentol, dodecahydro-1,1,8-trimethyl-4-methylene-, (2S,3aS,4aS,7R,8R,9aS,11R,11aR,12R)-
  • 7,9a-Methano-9aH-cyclopenta[b]heptalene-2,8,11,11a,12(1H)-pentol, dodecahydro-1,1,8-trimethyl-4-methylene-
  • (3β,6β,14R)-Grayanotox-10(20)-ene-3,5,6,14,16-pentol

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Deleted or Replaced CAS Registry Numbers

29487-59-0