| SpectraBase Compound ID | 5PjxRauEKVw |
|---|---|
| InChI | InChI=1S/C60H96O30/c1-55(2)13-15-60(16-14-57(4)23(24(60)17-55)7-8-30-56(3)11-10-32(65)59(6,31(56)9-12-58(30,57)5)53(79)89-50-44(77)40(73)35(68)27(20-63)84-50)54(80)90-51-45(78)46(87-48-42(75)38(71)33(66)25(18-61)82-48)37(70)29(86-51)22-81-52-47(41(74)36(69)28(21-64)85-52)88-49-43(76)39(72)34(67)26(19-62)83-49/h7,24-52,61-78H,8-22H2,1-6H3/t24?,25-,26+,27+,28+,29+,30?,31?,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49-,50-,51-,52+,56+,57+,58+,59-,60-/m0/s1 |
| InChIKey | SHDCOAGAKQAHTD-SNUVEJQTSA-N |
| Mol Weight | 1297.4 g/mol |
| Molecular Formula | C60H96O30 |
| Exact Mass | 1296.598642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gb3BTTS4u64 |
|---|---|
| Name | VACCAROSIDE-C;23-O-BETA-D-GLUCOPYRANOSYL-GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1-> |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H96O30 |
| InChI | InChI=1S/C60H96O30/c1-55(2)13-15-60(16-14-57(4)23(24(60)17-55)7-8-30-56(3)11-10-32(65)59(6,31(56)9-12-58(30,57)5)53(79)89-50-44(77)40(73)35(68)27(20-63)84-50)54(80)90-51-45(78)46(87-48-42(75)38(71)33(66)25(18-61)82-48)37(70)29(86-51)22-81-52-47(41(74)36(69)28(21-64)85-52)88-49-43(76)39(72)34(67)26(19-62)83-49/h7,24-52,61-78H,8-22H2,1-6H3/t24?,25-,26+,27+,28+,29+,30?,31?,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49-,50-,51-,52+,56+,57+,58+,59-,60-/m0/s1 |
| InChIKey | SHDCOAGAKQAHTD-SNUVEJQTSA-N |
| Literature Reference Author | K.KOIKE,Z.JIA,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,47,1343(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00707-3 |
| Molecular Weight | 1297.404 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS737 |