| SpectraBase Compound ID | BWkuK1JALJ6 |
|---|---|
| InChI | InChI=1S/C52H76O15/c1-31(15-12-16-32(2)20-21-39-48(4,5)24-35(56)25-50(39,8)62)14-10-11-18-34(28-53)19-13-17-33(3)22-23-52-49(6,7)26-36(27-51(52,9)67-52)63-46-44(61)42(59)45(38(30-55)65-46)66-47-43(60)41(58)40(57)37(29-54)64-47/h10-20,28,35-38,40-47,54-62H,22-27,29-30H2,1-9H3/b11-10+,15-12+,19-13+,31-14+,32-16+,33-17+,34-18-/t21?,35-,36+,37-,38+,40+,41+,42+,43-,44+,45+,46+,47+,50+,51-,52+/m0/s1 |
| InChIKey | FKIHEGJMQUTCRD-QEQUSFMWSA-N |
| Mol Weight | 941.2 g/mol |
| Molecular Formula | C52H76O15 |
| Exact Mass | 940.518422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6L6QTskKiaU |
|---|---|
| Name | P-457;(3S,5R,6R,3'S,5'R,6'S)-13-CIS-7',8'-DIHYDRONEOXANTHIN-20'-AL-3'-BETA-LACTOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H76O15 |
| InChI | InChI=1S/C52H76O15/c1-31(15-12-16-32(2)20-21-39-48(4,5)24-35(56)25-50(39,8)62)14-10-11-18-34(28-53)19-13-17-33(3)22-23-52-49(6,7)26-36(27-51(52,9)67-52)63-46-44(61)42(59)45(38(30-55)65-46)66-47-43(60)41(58)40(57)37(29-54)64-47/h10-20,28,35-38,40-47,54-62H,22-27,29-30H2,1-9H3/b11-10+,15-12+,19-13+,31-14+,32-16+,33-17+,34-18-/t21?,35-,36+,37-,38+,40+,41+,42+,43-,44+,45+,46+,47+,50+,51-,52+/m0/s1 |
| InChIKey | FKIHEGJMQUTCRD-QEQUSFMWSA-N |
| Literature Reference Author | G.ENGLERT,T.AAKEMANN,K.SCHIEDT,S.LIAAEN-JENSEN |
| Literature Reference Citation | J.NAT.PROD.,58,1675(1995) |
| Literature Reference DOI | 10.1021/np50125a005 |
| Molecular Weight | 941.166 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS22642 |