![#3;(25R,26R)-26-METHOXYSPIROST-5-EN-3-BETA,17-ALPHA-DIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSI](/api/spectrum/cVIgb1LDNA/structure.png?h=300&w=458 "#3;(25R,26R)-26-METHOXYSPIROST-5-EN-3-BETA,17-ALPHA-DIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSI")
| SpectraBase Compound ID | 6a824bMjD56 |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-20-10-15-47(68-41(20)59-7)22(3)48(58)31(67-47)17-28-26-9-8-24-16-25(11-13-45(24,5)27(26)12-14-46(28,48)6)62-44-40(66-42-36(55)34(53)32(51)21(2)61-42)38(57)39(29(18-49)63-44)65-43-37(56)35(54)33(52)30(64-43)19-60-23(4)50/h8,20-22,25-44,49,51-58H,9-19H2,1-7H3/t20-,21+,22-,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38+,39-,40-,41-,42+,43+,44-,45+,46+,47+,48-/m1/s1 |
| InChIKey | LBRIWUZLQKQROA-NABAHISDSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cVIgb1LDNA |
|---|---|
| Name | #3;(25R,26R)-26-METHOXYSPIROST-5-EN-3-BETA,17-ALPHA-DIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-20-10-15-47(68-41(20)59-7)22(3)48(58)31(67-47)17-28-26-9-8-24-16-25(11-13-45(24,5)27(26)12-14-46(28,48)6)62-44-40(66-42-36(55)34(53)32(51)21(2)61-42)38(57)39(29(18-49)63-44)65-43-37(56)35(54)33(52)30(64-43)19-60-23(4)50/h8,20-22,25-44,49,51-58H,9-19H2,1-7H3/t20-,21+,22-,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38+,39-,40-,41-,42+,43+,44-,45+,46+,47+,48-/m1/s1 |
| InChIKey | LBRIWUZLQKQROA-NABAHISDSA-N |
| Literature Reference Author | Y.MIMAKI,T.SATOU,M.KURODA,Y.SASHIDA,Y.HATAKEYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1829(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1829 |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20886 |