![TRIKAMSTEROSIDE-B;PENOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/FjWcMDrp1To/structure.png?h=300&w=458 "TRIKAMSTEROSIDE-B;PENOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | BFVrDdzc6Dh |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-19-8-13-44(57-17-19)21(3)45(55)29(63-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,45)5)59-41-38(62-40-37(54)33(50)30(47)20(2)58-40)35(52)32(49)28(61-41)18-56-39-36(53)34(51)31(48)27(16-46)60-39/h6,19-21,23-41,46-55H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43+,44+,45-/m1/s1 |
| InChIKey | XYEHKEOPCXUGQC-FAQHXHHLSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjWcMDrp1To |
|---|---|
| Name | TRIKAMSTEROSIDE-B;PENOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-19-8-13-44(57-17-19)21(3)45(55)29(63-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,45)5)59-41-38(62-40-37(54)33(50)30(47)20(2)58-40)35(52)32(49)28(61-41)18-56-39-36(53)34(51)31(48)27(16-46)60-39/h6,19-21,23-41,46-55H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43+,44+,45-/m1/s1 |
| InChIKey | XYEHKEOPCXUGQC-FAQHXHHLSA-N |
| Literature Reference Author | M.ONO,C.TAKAMURA,F.SUGITA,C.MASUOKA,H.YOSHIMITSU,T.IKEDA,T.N OHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,551(2007) |
| Literature Reference DOI | 10.1248/cpb.55.551 |
| Molecular Weight | 901.056 g/mol |
| Sample ID | 55523 |
| Solvent | C5D5N |