| SpectraBase Compound ID | JX4tRgRAC8f |
|---|---|
| InChI | InChI=1S/C47H88O20/c1-29(62-46-43(60-3)40(56)37(53)33(27-49)66-46)21-17-16-20-23-30(63-47-44(61-4)41(57)38(54)34(28-50)67-47)22-18-14-12-10-8-6-5-7-9-11-13-15-19-24-31(25-35(51)59-2)64-45-42(58)39(55)36(52)32(26-48)65-45/h29-34,36-50,52-58H,5-28H2,1-4H3/t29?,30?,31?,32-,33+,34-,36-,37+,38-,39+,40-,41+,42-,43+,44-,45-,46+,47-/m0/s1 |
| InChIKey | GBRYLSWHNRWBKI-WEPAIYRHSA-N |
| Mol Weight | 973.2 g/mol |
| Molecular Formula | C47H88O20 |
| Exact Mass | 972.586895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPKrTcymyVr |
|---|---|
| Name | 3-(BETA-D-GLUCOPYRANOSYLOXY)-19,25-DI-(2-O-METHYL-BETA-D-GLUCOPYRANOSYLOXY)-HEXACOSANOATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H88O20 |
| InChI | InChI=1S/C47H88O20/c1-29(62-46-43(60-3)40(56)37(53)33(27-49)66-46)21-17-16-20-23-30(63-47-44(61-4)41(57)38(54)34(28-50)67-47)22-18-14-12-10-8-6-5-7-9-11-13-15-19-24-31(25-35(51)59-2)64-45-42(58)39(55)36(52)32(26-48)65-45/h29-34,36-50,52-58H,5-28H2,1-4H3/t29?,30?,31?,32-,33+,34-,36-,37+,38-,39+,40-,41+,42-,43+,44-,45-,46+,47-/m0/s1 |
| InChIKey | GBRYLSWHNRWBKI-WEPAIYRHSA-N |
| Literature Reference Author | M.TSUNAKAWA,C.KOTAKE,T.YAMASAKI,T.MORIYAMA,M.KONISHI,T.OKI |
| Literature Reference Citation | J.ANTIBIOTICS,45,1472(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.1472 |
| Molecular Weight | 973.204 g/mol |
| Sample ID | 45961 |
| Solvent | C5D5N |