Resiniferatoxin

CAS Registry Number®

57444-62-9
No image available.

CAS Name

Resiniferatoxin

Molecular Formula

C37H40O9

Molecular Mass

628.71

Cite this Page

Resiniferatoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57444-62-9 (retrieved 2024-04-20) (CAS RN: 57444-62-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    64-67 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1

InChIKey

InChIKey=DSDNAKHZNJAGHN-MXTYGGKSSA-N

SMILES

C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)(C1)O[C@](CC5=CC=CC=C5)(O2)O4)[H])(C=C(COC(CC6=CC(OC)=C(O)C=C6)=O)C[C@@]7(O)[C@]3(C=C(C)C7=O)[H])[H]

Canonical SMILES

O=C(OCC1=CC2C3OC4(OC3(C(=C)C)CC(C)C2(O4)C5C=C(C(=O)C5(O)C1)C)CC=6C=CC=CC6)CC7=CC=C(O)C(OC)=C7

Other Names for this Substance

  • Benzeneacetic acid, 4-hydroxy-3-methoxy-, [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester
  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-hydroxy-3-methoxybenzeneacetate)
  • Benzeneacetic acid, 4-hydroxy-3-methoxy-, [3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester, [2S-(2α,3aβ,3bβ,6aβ,9aα,9bα,10α,11aβ)]-
  • Resiniferatoxin
  • (+)-Resiniferatoxin

View All

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser