![(22S)-16-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-1-BETA-YL-6-O-(3,4,5-TRIMETHOXYBENZOYL)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/AuCk1CTBQa/structure.png?h=300&w=458 "(22S)-16-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-1-BETA-YL-6-O-(3,4,5-TRIMETHOXYBENZOYL)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | LPRkDrB3V6M |
|---|---|
| InChI | InChI=1S/C49H78O18/c1-22(2)9-12-30(52)23(3)37-31(64-46-42(57)40(55)38(53)34(20-50)65-46)19-29-27-11-10-25-17-26(51)18-36(49(25,5)28(27)13-14-48(29,37)4)67-47-43(58)41(56)39(54)35(66-47)21-63-45(59)24-15-32(60-6)44(62-8)33(16-24)61-7/h15-16,22-23,25-31,34-43,46-47,50-58H,9-14,17-21H2,1-8H3/t23-,25?,26-,27-,28+,29+,30-,31+,34-,35+,36-,37+,38-,39+,40+,41-,42-,43+,46-,47-,48+,49+/m1/s1 |
| InChIKey | CJAONFHPXWHKGS-OCPGWFEYSA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C49H78O18 |
| Exact Mass | 954.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuCk1CTBQa |
|---|---|
| Name | (22S)-16-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-1-BETA-YL-6-O-(3,4,5-TRIMETHOXYBENZOYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O18 |
| InChI | InChI=1S/C49H78O18/c1-22(2)9-12-30(52)23(3)37-31(64-46-42(57)40(55)38(53)34(20-50)65-46)19-29-27-11-10-25-17-26(51)18-36(49(25,5)28(27)13-14-48(29,37)4)67-47-43(58)41(56)39(54)35(66-47)21-63-45(59)24-15-32(60-6)44(62-8)33(16-24)61-7/h15-16,22-23,25-31,34-43,46-47,50-58H,9-14,17-21H2,1-8H3/t23-,25?,26-,27-,28+,29+,30-,31+,34-,35+,36-,37+,38-,39+,40+,41-,42-,43+,46-,47-,48+,49+/m1/s1 |
| InChIKey | CJAONFHPXWHKGS-OCPGWFEYSA-N |
| Literature Reference Author | M.KURODA,Y.MIMAKI,K.ORI,H.SAKAGAMI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,67,1690(2004) |
| Literature Reference DOI | 10.1021/np040108i |
| Molecular Weight | 955.148 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ6568 |