![#46;26-O-BETA-D-GLUCOPYRANOSYL-22-ALPHA-METHOXY-3-BETA,26-DIHYDROXY-(25R)-FUROST-5-ENE-3-O-BETA-D-APIOFURANOSYL-(1->2)-[6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->4)]-](/api/spectrum/3iBTvLbGsjc/structure.png?h=300&w=458 "#46;26-O-BETA-D-GLUCOPYRANOSYL-22-ALPHA-METHOXY-3-BETA,26-DIHYDROXY-(25R)-FUROST-5-ENE-3-O-BETA-D-APIOFURANOSYL-(1->2)-[6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->4)]-")
| SpectraBase Compound ID | 56n9MkLYzvx |
|---|---|
| InChI | InChI=1S/C51H84O22/c1-22(19-65-44-38(59)37(58)35(56)31(17-52)69-44)9-14-51(64-6)23(2)33-30(73-51)16-29-27-8-7-25-15-26(10-12-48(25,4)28(27)11-13-49(29,33)5)68-46-42(72-47-43(62)50(63,20-54)21-66-47)40(61)41(32(18-53)70-46)71-45-39(60)36(57)34(55)24(3)67-45/h7,22-24,26-47,52-63H,8-21H2,1-6H3/t22-,23+,24+,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-/m1/s1 |
| InChIKey | MPXAJPPBLMNCEL-WWJABWLISA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C51H84O22 |
| Exact Mass | 1048.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iBTvLbGsjc |
|---|---|
| Name | #46;26-O-BETA-D-GLUCOPYRANOSYL-22-ALPHA-METHOXY-3-BETA,26-DIHYDROXY-(25R)-FUROST-5-ENE-3-O-BETA-D-APIOFURANOSYL-(1->2)-[6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->4)]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O22 |
| InChI | InChI=1S/C51H84O22/c1-22(19-65-44-38(59)37(58)35(56)31(17-52)69-44)9-14-51(64-6)23(2)33-30(73-51)16-29-27-8-7-25-15-26(10-12-48(25,4)28(27)11-13-49(29,33)5)68-46-42(72-47-43(62)50(63,20-54)21-66-47)40(61)41(32(18-53)70-46)71-45-39(60)36(57)34(55)24(3)67-45/h7,22-24,26-47,52-63H,8-21H2,1-6H3/t22-,23+,24+,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-/m1/s1 |
| InChIKey | MPXAJPPBLMNCEL-WWJABWLISA-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 | 1049.215 g/mol |
| Sample ID | 968791 |
| Solvent | C5D5N |