CAS Registry Number®
30636-90-9
CAS Name
(20S)-Protopanaxadiol
Molecular Formula
C30H52O3
Molecular Mass
460.73
Compound Properties
-
Melting Point (1)
197-200 °C
Source(s)
- (1) Tanaka, Osamu; Tetrahedron Letters, (1967), (5), 391-6, CAplus
Other Names and Identifiers
InChI
InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1
InChIKey
InChIKey=PYXFVCFISTUSOO-HKUCOEKDSA-N
SMILES
C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](CCC=C(C)C)(C)O)(CC3)[H])([C@H](O)C[C@@]1([C@]4(C)[C@@](CC2)(C(C)(C)[C@@H](O)CC4)[H])[H])[H]
Canonical SMILES
OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C4(C)CCC(C14)C(O)(C)CCC=C(C)C
Other Names for this Substance
- Dammar-24-ene-3,12,20-triol, (3β,12β)-
- Dammar-24-ene-3β,12β,20-triol
- (3β,12β)-Dammar-24-ene-3,12,20-triol
- 20-Epiprotopanaxadiol
- (20S)-Protopanaxadiol
- 20(S)-APPD
Deleted or Replaced CAS Registry Numbers
248915-81-3
