55304-02-4
SOYASAPONIN III
Name
SOYASAPONIN III
Formula
C42 H68 O14
MolWeight
796.985
1Identification
【Name】
SOYASAPONIN III
【CAS】
【MDL】
MFCD04039837
【English Synonyms】
【Formula】
C42 H68 O14
【MolWeight】
796.985
【Inchi】
InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
【InChIKey】
InChIKey=OKIHRVKXRCAJFQ-AHBDIROXSA-N
【SMILES】
CC1(C[C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC[C@]2([C@@H](C1)O)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:9
H bond acceptor:14
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SOYASAPONIN III.cml
Quick Release
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