CAS Registry Number®
26342-66-5
CAS Name
Rhodojaponin III
Molecular Formula
C20H32O6
Molecular Mass
368.46
Compound Properties
-
Melting Point (1)
285-287 °C
Source(s)
- (1) Hikino, Hiroshi; Chemical & Pharmaceutical Bulletin, (1969), 17(5), 1078-9, CAplus
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
