| SpectraBase Compound ID | BStdu9QLZPg |
|---|---|
| InChI | InChI=1S/C36H62O15/c1-8-11-12-13-14-15-16-17-26(39)47-30-29(48-32(42)21(4)5)27(40)24(18-37)46-35(30)51-36(20-45-33(43)22(6)9-2)31(28(41)25(19-38)50-36)49-34(44)23(7)10-3/h21-25,27-31,35,37-38,40-41H,8-20H2,1-7H3/t22?,23?,24-,25-,27-,28-,29+,30-,31+,35-,36+/m1/s1 |
| InChIKey | YFQNZOWYPJHOIM-ZVZUOJNNSA-N |
| Mol Weight | 734.9 g/mol |
| Molecular Formula | C36H62O15 |
| Exact Mass | 734.408871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBP6C6l8ouO |
|---|---|
| Name | NICANDROSE_A;2-O-DECANOYL-3-O-ISOBUTYRYL-1',3'-DI-O-2-METHYLBUTANOYLSUCROSE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H62O15 |
| InChI | InChI=1S/C36H62O15/c1-8-11-12-13-14-15-16-17-26(39)47-30-29(48-32(42)21(4)5)27(40)24(18-37)46-35(30)51-36(20-45-33(43)22(6)9-2)31(28(41)25(19-38)50-36)49-34(44)23(7)10-3/h21-25,27-31,35,37-38,40-41H,8-20H2,1-7H3/t22?,23?,24-,25-,27-,28-,29+,30-,31+,35-,36+/m1/s1 |
| InChIKey | YFQNZOWYPJHOIM-ZVZUOJNNSA-N |
| Literature Reference Author | E.MALDONADO,F.R.TORRES,M.MARTINEZ,A.L.PEREZ-COSTORENA |
| Literature Reference Citation | J.NAT.PROD.,69,1511(2006) |
| Literature Reference DOI | 10.1021/np060274l |
| Molecular Weight | 734.879 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17117 |