![#4;(25R)-27-O-[(S)-3-HYDROXY-3-METHYLGLUTAROYL]-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPY](/api/spectrum/Bd4F2H6a4m/structure.png?h=300&w=458 "#4;(25R)-27-O-[(S)-3-HYDROXY-3-METHYLGLUTAROYL]-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPY")
| SpectraBase Compound ID | GjD3Re1UdV7 |
|---|---|
| InChI | InChI=1S/C51H80O22/c1-22-35-30(73-51(22)13-8-24(21-66-51)20-65-34(56)17-48(3,64)16-33(54)55)15-29-27-7-6-25-14-26(9-11-49(25,4)28(27)10-12-50(29,35)5)68-47-44(72-45-41(62)39(60)36(57)23(2)67-45)43(38(59)32(19-53)70-47)71-46-42(63)40(61)37(58)31(18-52)69-46/h6,22-24,26-32,35-47,52-53,57-64H,7-21H2,1-5H3,(H,54,55)/t22-,23+,24-,26-,27+,28-,29-,30-,31+,32+,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45+,46-,47+,48?,49-,50-,51+/m0/s1 |
| InChIKey | RSSOHPVAYWXBAJ-PMKWKCPQSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C51H80O22 |
| Exact Mass | 1044.514124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bd4F2H6a4m |
|---|---|
| Name | #4;(25R)-27-O-[(S)-3-HYDROXY-3-METHYLGLUTAROYL]-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O22 |
| InChI | InChI=1S/C51H80O22/c1-22-35-30(73-51(22)13-8-24(21-66-51)20-65-34(56)17-48(3,64)16-33(54)55)15-29-27-7-6-25-14-26(9-11-49(25,4)28(27)10-12-50(29,35)5)68-47-44(72-45-41(62)39(60)36(57)23(2)67-45)43(38(59)32(19-53)70-47)71-46-42(63)40(61)37(58)31(18-52)69-46/h6,22-24,26-32,35-47,52-53,57-64H,7-21H2,1-5H3,(H,54,55)/t22-,23+,24-,26-,27+,28-,29-,30-,31+,32+,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45+,46-,47+,48?,49-,50-,51+/m0/s1 |
| InChIKey | RSSOHPVAYWXBAJ-PMKWKCPQSA-N |
| Literature Reference Author | Y.MIMAKI,Y.SASHIDA,O.NAKAMURA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,33,675(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85472-4 |
| Molecular Weight | 1045.183 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6536 |