| SpectraBase Compound ID | 8CcEbdvUW2l |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-21-31(59)35(63)40(68)45(72-21)76-42-38(66)34(62)27(20-71-44-39(67)36(64)32(60)25(18-55)73-44)75-47(42)78-48(70)54-14-13-49(2,3)15-23(54)22-9-10-29-51(6)16-24(57)43(77-46-41(69)37(65)33(61)26(19-56)74-46)50(4,5)28(51)11-12-52(29,7)53(22,8)17-30(54)58/h9,21,23-47,55-69H,10-20H2,1-8H3/t21-,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-,51-,52+,53+,54+/m1/s1 |
| InChIKey | KFCMOOGMXQYLSR-FFJMGVFESA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C54H88O24 |
| Exact Mass | 1120.566554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6libpt4Pw34 |
|---|---|
| Name | BELLISSAPONIN BS4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H88O24 |
| InChI | InChI=1S/C54H88O24/c1-21-31(59)35(63)40(68)45(72-21)76-42-38(66)34(62)27(20-71-44-39(67)36(64)32(60)25(18-55)73-44)75-47(42)78-48(70)54-14-13-49(2,3)15-23(54)22-9-10-29-51(6)16-24(57)43(77-46-41(69)37(65)33(61)26(19-56)74-46)50(4,5)28(51)11-12-52(29,7)53(22,8)17-30(54)58/h9,21,23-47,55-69H,10-20H2,1-8H3/t21-,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-,51-,52+,53+,54+/m1/s1 |
| InChIKey | KFCMOOGMXQYLSR-FFJMGVFESA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |