CAS Registry Number®
28957-04-2
CAS Name
Oridonin
Molecular Formula
C20H28O6
Molecular Mass
364.43
Compound Properties
-
Melting Point (1)
248-250 °C
Source(s)
- (1) Fujita, Eiichi; Chemical Communications (London), (1967), (6), 252-4, CAplus
Other Names and Identifiers
InChI
InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13?,15+,16?,18+,19-,20+/m0/s1
InChIKey
InChIKey=SDHTXBWLVGWJFT-VSKLWXMZSA-N
SMILES
O[C@]12[C@]34[C@]([C@]5(C([C@@H]1O)(C(C)(C)CC[C@@H]5O)[H])CO2)(CC[C@]([C@H]3O)(C(=C)C4=O)[H])[H]
Canonical SMILES
O=C1C(=C)C2CCC3C1(C2O)C4(O)OCC53C(O)CCC(C)(C)C5C4O
Other Names for this Substance
- Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-, (1α,6β,7α,14R)-
- Kaur-16-en-15-one, 7α,20-epoxy-1α,6β,7,14-tetrahydroxy-, (14R)-
- Oridonin
- 6,11b-(Epoxymethano)-6a,9-methano-1H-cyclohepta[a]naphthalene, kaur-16-en-15-one deriv.
- (1α,6β,7α,14R)-7,20-Epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one
- Isodonol
- NSC 250682
- Oridonine
- (-)-Oridonin
- (1S,4AR,5S,6S,6aR,9S,11aS,11bS,14R)-1,5,6,14-Tetrahydroxy-4,4-dimethyl-8-methylenedecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7(8H)-one
Deleted or Replaced CAS Registry Numbers
18288-82-9, 2305818-70-4
