| SpectraBase Compound ID | HDhKP6aL1bf |
|---|---|
| InChI | InChI=1S/C63H90O21/c1-33-50(64)55(74-11)51(65)58(78-33)84-54-36(4)77-49(31-44(54)73-10)83-53-35(3)76-48(30-43(53)72-9)82-52-34(2)75-47(29-42(52)71-8)80-41-23-24-59(6)40(28-41)22-25-62(69)45(59)32-46(81-57(67)39-20-16-13-17-21-39)60(7)61(68,26-27-63(60,62)70)37(5)79-56(66)38-18-14-12-15-19-38/h12-22,33-37,41-55,58,64-65,68-70H,23-32H2,1-11H3/t33-,34+,35-,36+,37?,41-,42+,43+,44-,45?,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,58+,59-,60+,61?,62-,63+/m0/s1 |
| InChIKey | YZDKWVNBMDWTKV-LZGARKEFSA-N |
| Mol Weight | 1183.4 g/mol |
| Molecular Formula | C63H90O21 |
| Exact Mass | 1182.59746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lv7RcUB6z1 |
|---|---|
| Name | 12,20-BETA-O-DIBENZOYLSARCOSTIN_BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H90O21 |
| InChI | InChI=1S/C63H90O21/c1-33-50(64)55(74-11)51(65)58(78-33)84-54-36(4)77-49(31-44(54)73-10)83-53-35(3)76-48(30-43(53)72-9)82-52-34(2)75-47(29-42(52)71-8)80-41-23-24-59(6)40(28-41)22-25-62(69)45(59)32-46(81-57(67)39-20-16-13-17-21-39)60(7)61(68,26-27-63(60,62)70)37(5)79-56(66)38-18-14-12-15-19-38/h12-22,33-37,41-55,58,64-65,68-70H,23-32H2,1-11H3/t33-,34+,35-,36+,37?,41-,42+,43+,44-,45?,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,58+,59-,60+,61?,62-,63+/m0/s1 |
| InChIKey | YZDKWVNBMDWTKV-LZGARKEFSA-N |
| Literature Reference Author | G.CIOFFI,R.SANOGO,A.VASSALLO,F.D.PIAZ,G.AUTORE,S.MARZOCCO,N. DETOMMASI |
| Literature Reference Citation | J.NAT.PROD.,69,625(2006) |
| Literature Reference DOI | 10.1021/np050493r |
| Molecular Weight | 1183.395 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18252 |