CAS Registry Number®
34080-08-5
CAS Name
(20S)-Protopanaxatriol
Molecular Formula
C30H52O4
Molecular Mass
476.73
Compound Properties
-
Melting Point (1)
242-244 °C
Source(s)
- (1) Yu, Ming; Zhongcaoyao, (2002), 33(5), 404-405, CAplus
Other Names and Identifiers
InChI
InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
InChIKey
InChIKey=SHCBCKBYTHZQGZ-CJPZEJHVSA-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@@]([C@@H](O)C2)(C(C)(C)[C@@H](O)CC4)[H])[H])[H]
Canonical SMILES
OC1CC2C3(C)CCC(O)C(C)(C)C3C(O)CC2(C)C4(C)CCC(C14)C(O)(C)CCC=C(C)C
Other Names for this Substance
- Dammar-24-ene-3,6,12,20-tetrol, (3β,6α,12β)-
- Dammar-24-ene-3β,6α,12β,20-tetrol, (20S)-
- (3β,6α,12β)-Dammar-24-ene-3,6,12,20-tetrol
- (20S)-Protopanaxatriol
- Panaxoside A aglycone Aφ
- 20(S)-APPT
Deleted or Replaced CAS Registry Numbers
32773-56-1
