Rhodojaponin III

CAS Registry Number®

26342-66-5
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CAS Name

Rhodojaponin III

Molecular Formula

C20H32O6

Molecular Mass

368.46

Cite this Page

Rhodojaponin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26342-66-5 (retrieved 2024-08-10) (CAS RN: 26342-66-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    285-287 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14?,15+,17-,18-,19+,20-/m1/s1

InChIKey

InChIKey=VUMZHZYKXUYIHM-QNKDTUKASA-N

SMILES

OC1[C@@]23[C@]([C@@](C)(O)[C@]4([C@](O)([C@H](O)C2)C(C)(C)[C@@]5([C@]4(O5)[H])[H])[H])(CC[C@]1([C@](C)(O)C3)[H])[H]

Canonical SMILES

OC1CC23CC(O)(C)C(CCC2C(O)(C)C4C5OC5C(C)(C)C14O)C3O

Other Names for this Substance

  • Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, (2β,3β,6β,14R)-
  • 7,9a-Methano-9aαH-cyclopenta[b]heptalene-4,8,11,11aβ,12(1H)-pentol, 2β,3β-epoxy-2,3,3aβ,4,4aβ,5,6,7β,8,9,10,11α-dodecahydro-1,1,4β,8β-tetramethyl-
  • 5,7a-Methano-7aH-cyclohept[6,7]azuleno[1,2-b]oxirene, grayanotoxane-5,6,10,14,16-pentol deriv.
  • (2β,3β,6β,14R)-2,3-Epoxygrayanotoxane-5,6,10,14,16-pentol
  • Rhodojaponin III