CAS Registry Number®
CAS Name
α-Hederin
Molecular Formula
C41H66O12
Molecular Mass
750.96
Compound Properties
-
Melting Point (1)
253-256 °C
Source(s)
- (1) Saito, Takako; Revista Brasileira de Farmacia, (1974), 55(5-6), 113-26, CAplus
Other Names and Identifiers
InChI
InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
InChIKey
InChIKey=KEOITPILCOILGM-LLJOFIFVSA-N
SMILES
C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@@H](O)CO6)CC5)[H])[H]
Canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(C)C(O)C(O)C7O)C(C)(CO)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β,4α)-
- α-Hederin
- (3β,4α)-3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-28-oic acid
- Helixin
- Sapindoside A
- Hederagenin 3-O-α-L-rhamnopyranosyl-(1 → 2)-α-L-arabinopyranoside
- Akebia saponin PD
- Prosapogenin CP3b
- Kizuta saponin K6
- Nepalin 2
- Tauroside E
- Kalopanaxsaponin A
- Pulsatilla saponin A
- Hederoside C
- Koronaroside A
- Akeboside Stc
- Glycoside L-E1
- Dipsacoside A
- Dipsacobioside
- (+)-Dipsacobioside
- Cephalaroside C
- NSC 106553
- 23-Hydroxy-3β-[(O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid
- 3-O-α-L-Rhamnopyranosyl-(1→2)-α-L-arabinopyranosylhederagenin
- Dipsacus saponin L
- Pulchinenoside BD
Deleted or Replaced CAS Registry Numbers
1391-87-3, 1399-69-5, 29302-47-4, 30883-34-2, 52038-08-1, 56779-31-8, 60454-64-0, 104748-88-1, 123350-57-2, 144190-43-2, 2545778-73-0, 2579173-38-7
