Grayanotoxin III

CAS Registry Number®

4678-45-9

CAS Name

Grayanotoxin III

Molecular Formula

C20H34O6

Molecular Mass

370.48

Cite this Page

Grayanotoxin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4678-45-9 (retrieved 2024-11-25) (CAS RN: 4678-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15?,17-,18-,19+,20+/m1/s1

InChIKey

InChIKey=BWMFRQKICHXLSH-HEZRRLFXSA-N

SMILES

OC1[C@@]23[C@]([C@@](C)(O)[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(O)(C)C3CCC4C(O)C3(CC(O)C2(O)C1(C)C)CC4(O)C

Other Names for this Substance

  • Grayanotoxane-3,5,6,10,14,16-hexol, (3β,6β,14R)-
  • Grayanotoxin III
  • (3β,6β,14R)-Grayanotoxane-3,5,6,10,14,16-hexol
  • Deacylasebotoxin I
  • Deacetylandromedotoxin

View All

Deleted or Replaced CAS Registry Numbers

6855-95-4, 25530-65-8

CAS INSIGHTSTM
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