| SpectraBase Compound ID | 54foqcjRvqm |
|---|---|
| InChI | InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-39(62)37(60)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-45-40(63)36(59)32(55)21(2)66-45)42(35(58)30(18-54)70-47)71-46-41(64)38(61)34(57)29(17-53)69-46/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20?,21?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33-,34?,35?,36?,37-,38?,39-,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?/m0/s1 |
| InChIKey | SURJRRNAHMWJFW-GTHJTESTSA-N |
| Mol Weight | 1063.2 g/mol |
| Molecular Formula | C51H82O23 |
| Exact Mass | 1062.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjntgZDNsVO |
|---|---|
| Name | Aculeatisid-B |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C51H82O23 |
| InChI | InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-39(62)37(60)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-45-40(63)36(59)32(55)21(2)66-45)42(35(58)30(18-54)70-47)71-46-41(64)38(61)34(57)29(17-53)69-46/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20?,21?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33-,34?,35?,36?,37-,38?,39-,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?/m0/s1 |
| InChIKey | SURJRRNAHMWJFW-GTHJTESTSA-N |
| Literature Reference | Phytochem. 22, 733 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |