| SpectraBase Compound ID | IOvSS7mH7Bg |
|---|---|
| InChI | InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)/t24-,26?,28+,29?,30?,31-,32+,33+,35-,36-,37+,38+,39-,40-,41+,42-,43+,44+,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1 |
| InChIKey | ONAAMCDHQSWPDU-VLOJFLJKSA-N |
| Mol Weight | 1069.2 g/mol |
| Molecular Formula | C54H84O21 |
| Exact Mass | 1068.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AahDFpJcnZD |
|---|---|
| Name | SOYASAPONIN-VI |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O21 |
| InChI | InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)/t24-,26?,28+,29?,30?,31-,32+,33+,35-,36-,37+,38+,39-,40-,41+,42-,43+,44+,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1 |
| InChIKey | ONAAMCDHQSWPDU-VLOJFLJKSA-N |
| Literature Reference Author | G.MASSIOT,C.LAVAUD,M.BENKHALED,L.LEMEN-OLIVIER |
| Literature Reference Citation | J.NAT.PROD.,55,1339(1992) |
| Literature Reference DOI | 10.1021/np50087a031 |
| Molecular Weight | 1069.248 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS81 |