| SpectraBase Compound ID | 9X7DBhTwIk5 |
|---|---|
| InChI | InChI=1S/C33H56O15/c1-7-9-10-11-12-13-14-15-24(37)44-28-27(45-30(40)19(3)4)25(38)22(16-34)43-32(28)48-33(18-42-21(6)36)29(26(39)23(17-35)47-33)46-31(41)20(5)8-2/h19-20,22-23,25-29,32,34-35,38-39H,7-18H2,1-6H3/t20?,22-,23-,25-,26-,27+,28-,29+,32-,33+/m1/s1 |
| InChIKey | OMKDEMOUHIHOJQ-XTADPXJASA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C33H56O15 |
| Exact Mass | 692.361921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bqn8SxW3hsv |
|---|---|
| Name | NICANDROSE_C;1'-O-ACETYL-2-O-DECANOYL-3-O-ISOBUTYRYL-3'-O-2-METHYLBUTANOYL5X |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H56O15 |
| InChI | InChI=1S/C33H56O15/c1-7-9-10-11-12-13-14-15-24(37)44-28-27(45-30(40)19(3)4)25(38)22(16-34)43-32(28)48-33(18-42-21(6)36)29(26(39)23(17-35)47-33)46-31(41)20(5)8-2/h19-20,22-23,25-29,32,34-35,38-39H,7-18H2,1-6H3/t20?,22-,23-,25-,26-,27+,28-,29+,32-,33+/m1/s1 |
| InChIKey | OMKDEMOUHIHOJQ-XTADPXJASA-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 | 692.799 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17119 |