| SpectraBase Compound ID | AFxHlDYgokv |
|---|---|
| InChI | InChI=1S/C36H52O11/c1-21-18-27(47-34-31(42)30(41)29(40)26(20-38)46-34)36(3)24(19-37)11-12-25(45-28(39)13-10-22-8-6-5-7-9-22)32(36)35(21,2)16-14-23-15-17-44-33(23)43-4/h5-10,13,19,21,23-27,29-34,38,40-42H,11-12,14-18,20H2,1-4H3/b13-10+/t21-,23+,24+,25-,26+,27+,29+,30-,31+,32-,33+,34-,35+,36-/m1/s1 |
| InChIKey | FECCSPZIEUDRSR-QGSUMTICSA-N |
| Mol Weight | 660.8 g/mol |
| Molecular Formula | C36H52O11 |
| Exact Mass | 660.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CoDwDOjQR3R |
|---|---|
| Name | SCUTEREPENOSIDE-A1;(4R,13S*,16S*)-1-BETA-TRANS-CINNAMOYLOXY-6-ALPHA-(BETA-D-GLUCOPYRANOSYLOXY)-16-METHOXY-15,16-EPOXY-18-NEOCLERODANAL |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O11 |
| InChI | InChI=1S/C36H52O11/c1-21-18-27(47-34-31(42)30(41)29(40)26(20-38)46-34)36(3)24(19-37)11-12-25(45-28(39)13-10-22-8-6-5-7-9-22)32(36)35(21,2)16-14-23-15-17-44-33(23)43-4/h5-10,13,19,21,23-27,29-34,38,40-42H,11-12,14-18,20H2,1-4H3/b13-10+/t21-,23+,24+,25-,26+,27+,29+,30-,31+,32-,33+,34-,35+,36-/m1/s1 |
| InChIKey | FECCSPZIEUDRSR-QGSUMTICSA-N |
| Literature Reference Author | H.KIZU,N.SUGITA,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,988(1998) |
| Literature Reference DOI | 10.1248/cpb.46.988 |
| Molecular Weight | 660.802 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6505 |