SpectraBase Compound ID | 1rZ2sCl45cZ |
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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 | OKIHRVKXRCAJFQ-QIKZVKQJSA-N |
Mol Weight | 797.0 g/mol |
Molecular Formula | C42H68O14 |
Exact Mass | 796.460907 g/mol |
SpectraBase Spectrum ID | Au2LEwRzHZx |
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Name | SOYASAPONIN-III |
Compound Number | 2A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H68O14 |
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 | OKIHRVKXRCAJFQ-QIKZVKQJSA-N |
Literature Reference Author | T.ARAO,J.KINJO,T.NOHARA,R.ISOBE |
Literature Reference Citation | CHEM.PHARM.BULL.,45,362(1997) |
Literature Reference DOI | 10.1248/cpb.45.362 |
Molecular Weight | 796.994 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN28740 |