| SpectraBase Compound ID | 3Unu5qGOnsr |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)/t21-,23?,24-,25-,26?,27?,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38?,39+,40+,43-,44+,45+,46+,47-,48+/m0/s1 |
| InChIKey | IDGBFYVSNABVRJ-ZTVPPMTCSA-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 | GdX66h5iZsa |
|---|---|
| Name | SPINOSIDE D3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)/t21-,23?,24-,25-,26?,27?,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38?,39+,40+,43-,44+,45+,46+,47-,48+/m0/s1 |
| InChIKey | IDGBFYVSNABVRJ-ZTVPPMTCSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |