(3β,4α,16α,21β,22α)-Olean-12-ene-3,16,21,22,23,28-hexol
CAS Registry Number®
13844-22-9
CAS Name
(3β,4α,16α,21β,22α)-Olean-12-ene-3,16,21,22,23,28-hexolMolecular Formula
C30H50O6Molecular Mass
506.71Cite this Page
(3β,4α,16α,21β,22α)-Olean-12-ene-3,16,21,22,23,28-hexol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=13844-22-9 (retrieved ) (CAS RN: 13844-22-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
301-303 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24-,26-,27-,28+,29+,30-/m0/s1
InChIKey
InChIKey=VKJLHZZPVLQJKG-HAIONMGCSA-N
SMILES
C(O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](CO)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)[C@@H]2O)[H]
Canonical SMILES
OCC1(C)C(O)CCC2(C)C3CC=C4C5CC(C)(C)C(O)C(O)C5(CO)C(O)CC4(C)C3(C)CCC12
Other Names for this Substance
- Olean-12-ene-3,16,21,22,23,28-hexol, (3β,4α,16α,21β,22α)-
- Olean-12-ene-3β,16α,21β,22α,23,28-hexol
- (3β,4α,16α,21β,22α)-Olean-12-ene-3,16,21,22,23,28-hexol
- Theasapogenol A