SpectraBase Compound ID | 3t3uuuVvU2I |
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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-RVAPODRHSA-N |
Mol Weight | 797.0 g/mol |
Molecular Formula | C42H68O14 |
Exact Mass | 796.460907 g/mol |
SpectraBase Spectrum ID | LNlLbUjUHKl |
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Name | AZUKISAPONIN-II |
Compound Number | 4 |
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-RVAPODRHSA-N |
Literature Reference Author | M.UDAYAMA,M.OHKAWA,N.YOSHIDA,J.KINJO,T.NOHARA |
Literature Reference Citation | CHEM.PHARM.BULL.,46,1412(1998) |
Literature Reference DOI | 10.1248/cpb.46.1412 |
Molecular Weight | 796.994 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS20567 |