| SpectraBase Compound ID | Crry7W6386v |
|---|---|
| InChI | InChI=1S/C33H54O9/c1-16-5-10-33(39-15-16)17(2)26-24(42-33)13-21-19-12-23(40-30-29(38)28(37)27(36)25(14-34)41-30)22-11-18(35)6-8-31(22,3)20(19)7-9-32(21,26)4/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33-/m1/s1 |
| InChIKey | DQGDIBFTBNPWKO-LWCXSENRSA-N |
| Mol Weight | 594.8 g/mol |
| Molecular Formula | C33H54O9 |
| Exact Mass | 594.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96OhPWIqBog |
|---|---|
| Name | CHLOROGENIN-6-O-BETA-D-GLUCOPYRANOSIDE;(25R)-5-ALPHA-SPIROSTAN-3-BETA,6-ALPHA-DIOL-6-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O9 |
| InChI | InChI=1S/C33H54O9/c1-16-5-10-33(39-15-16)17(2)26-24(42-33)13-21-19-12-23(40-30-29(38)28(37)27(36)25(14-34)41-30)22-11-18(35)6-8-31(22,3)20(19)7-9-32(21,26)4/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33-/m1/s1 |
| InChIKey | DQGDIBFTBNPWKO-LWCXSENRSA-N |
| Literature Reference Author | Y.MIMAKI,Y.SASHIDA,K.KAWASHIMA |
| Literature Reference Citation | PHYTOCHEM.,30,3721(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)80098-L |
| Molecular Weight | 594.786 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS26661 |