![#27;TRIGONEOSIDE-IVA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-FUROST-5-ENE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4](/api/spectrum/8q4U1PbOf60/structure.png?h=300&w=458 "#27;TRIGONEOSIDE-IVA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-FUROST-5-ENE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4")
| SpectraBase Compound ID | D6jg9F126ct |
|---|---|
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42-,43+,44+,45-,46-,47-,48+,49?,50?,51?/m0/s1 |
| InChIKey | RPYHJEFMMXMMHG-HJEMPYMUSA-N |
| Mol Weight | 1065.2 g/mol |
| Molecular Formula | C51H84O23 |
| Exact Mass | 1064.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8q4U1PbOf60 |
|---|---|
| Name | #27;TRIGONEOSIDE-IVA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-FUROST-5-ENE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O23 |
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42-,43+,44+,45-,46-,47-,48+,49?,50?,51?/m0/s1 |
| InChIKey | RPYHJEFMMXMMHG-HJEMPYMUSA-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 | 1065.214 g/mol |
| Sample ID | 968772 |
| Solvent | C5D5N |