CAS
658-90-2 Purity
96%
658-90-2 Purity
96%
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Soyasapogenol D
CAS
65892-76-4
Catalog Number
ACM65892764
Category
Other Products
Molecular Weight
472.8
Molecular Formula
C31H52O3
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Specification
Synonyms
CTK2F6881, 65892-76-4, AG-G-48038, (3S,4S,6aR,6bS,8aR,9R,14aS,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
IUPAC Name
(3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
Canonical SMILES
CC1(CC(C2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)C)OC)C
InChI
InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1
InChI Key
JAQZKPHHLRTVCY-ZHRKTGFNSA-N
Appearance
Powder
Exact Mass
472.39200
H-Bond Acceptor
3
H-Bond Donor
2
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