soyasaponin III

Chemical Formula:

C₄₂H₆₇O₁₄

Molecular Weight:

795.983 Daltons

Monoisotopic Mass:

796.4609068922 Daltons

SMILES:

CC7(C)(CC(O)C6(C)([CH](C5(=CC[CH]4(C3(C)(CCC(OC2(OC(C([O-])=O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(CO)O1))2))C(C)(CO)[CH]3CCC(C)4C(C)5CC6))))C7))

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)/p-1/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1

InChIKey:

OKIHRVKXRCAJFQ-AHBDIROXSA-M

Synonyms

(3β,4β,21α)-2¹,2³-dihydroxyolean-12-en-3-yl (2-O-β-D-galactopyranosyl)-β-D-glucopyranosiduronate

Databases

MetaCyc: CPD-13254

PubChem (CID): 53477656

ChEBI: 62911

Seed: cpd21106

HMDB: HMDB34651

MetaNetX: MNXM2729

KEGG: C19865