| SpectraBase Compound ID | CpOgfOh5vg7 |
|---|---|
| InChI | InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19+,21-,22+,23-,24-,25+,26+,29+,30-,31+/m1/s1 |
| InChIKey | SBQFQOLBZXKZRP-HCMANYRNSA-N |
| Mol Weight | 520.8 g/mol |
| Molecular Formula | C31H52O6 |
| Exact Mass | 520.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GqAGxrJwPz |
|---|---|
| Name | 21-O-METHYLTOOSENDANPENTOL |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O6 |
| InChI | InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19+,21-,22+,23-,24-,25+,26+,29+,30-,31+/m1/s1 |
| InChIKey | SBQFQOLBZXKZRP-HCMANYRNSA-N |
| Literature Reference Author | B.J.XIE,S.P.YANG,H.D.CHEN,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,70,1532(2007) |
| Literature Reference DOI | 10.1021/np0702842 |
| Molecular Weight | 520.750 g/mol |
| Sample ID | 31612 |
| Solvent | CDCl3 |