| SpectraBase Compound ID | AErOZPH6Kl |
|---|---|
| InChI | InChI=1S/C54H90O24/c1-22(9-13-33(51(4,5)70)78-49-45(69)41(65)37(61)29(76-49)21-72-47-43(67)39(63)35(59)27(19-56)74-47)23-15-16-52(6)30-12-10-24-25(54(30,8)31(57)17-53(23,52)7)11-14-32(50(24,2)3)77-48-44(68)40(64)36(60)28(75-48)20-71-46-42(66)38(62)34(58)26(18-55)73-46/h10,22-23,25-30,32-49,55-56,58-70H,9,11-21H2,1-8H3/t22?,23-,25-,26-,27+,28-,29+,30+,32+,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46-,47+,48+,49-,52+,53-,54+/m1/s1 |
| InChIKey | KKXXOFXOLSCTDL-PWYXNVBHSA-N |
| Mol Weight | 1123.3 g/mol |
| Molecular Formula | C54H90O24 |
| Exact Mass | 1122.582204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6h6qf3gvvXw |
|---|---|
| Name | 11-OXOMOGROSIDE_IV_A;11-OXOMOGROL_3,24-O-DI-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90O24 |
| InChI | InChI=1S/C54H90O24/c1-22(9-13-33(51(4,5)70)78-49-45(69)41(65)37(61)29(76-49)21-72-47-43(67)39(63)35(59)27(19-56)74-47)23-15-16-52(6)30-12-10-24-25(54(30,8)31(57)17-53(23,52)7)11-14-32(50(24,2)3)77-48-44(68)40(64)36(60)28(75-48)20-71-46-42(66)38(62)34(58)26(18-55)73-46/h10,22-23,25-30,32-49,55-56,58-70H,9,11-21H2,1-8H3/t22?,23-,25-,26-,27+,28-,29+,30+,32+,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46-,47+,48+,49-,52+,53-,54+/m1/s1 |
| InChIKey | KKXXOFXOLSCTDL-PWYXNVBHSA-N |
| Literature Reference Author | T.AKIHISA,Y.HAYAKAWA,H.TOKUDA,N.BANNO,N.SHIMIZU,T.SUZUKI,Y.K IMURA |
| Literature Reference Citation | J.NAT.PROD.,70,783(2007) |
| Literature Reference DOI | 10.1021/np068074x |
| Molecular Weight | 1123.294 g/mol |
| Sample ID | 30272 |
| Solvent | C5D5N |