SpectraBase Compound ID | GsDsbCxiMDD |
---|---|
InChI | InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h14,19-21,23-42,46-56H,6-13,15-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43?,44?,45?/m1/s1 |
InChIKey | LWXZBNGSFONONO-VXPDNSSOSA-N |
Mol Weight | 903.1 g/mol |
Molecular Formula | C45H74O18 |
Exact Mass | 902.487516 g/mol |
SpectraBase Spectrum ID | 7C2aDC0arw1 |
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Name | #9;TRIGONEOSIDE-XIIB;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25R)-FUROST-4-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H74O18 |
InChI | InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h14,19-21,23-42,46-56H,6-13,15-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43?,44?,45?/m1/s1 |
InChIKey | LWXZBNGSFONONO-VXPDNSSOSA-N |
Literature Reference Author | P.K.AGRAWAL |
Literature Reference Citation | STEROIDS,70,715(2005) |
Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
Molecular Weight | 903.072 g/mol |
Sample ID | 968754 |
Solvent | C5D5N |