SpectraBase Compound ID | gK9ll0qBNG |
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InChI | InChI=1S/C28H34O9/c1-14(29)34-18-11-17-24(2,3)36-19(31)7-9-25(17,4)20-16(30)12-26(5)21(15-8-10-33-13-15)35-23(32)22-28(26,37-22)27(18,20)6/h7-10,13,16-18,20-22,30H,11-12H2,1-6H3/t16-,17-,18+,20+,21-,22+,25-,26-,27+,28+/m0/s1 |
InChIKey | LQJDEKSQQRKNEE-SFVCMNKQSA-N |
Mol Weight | 514.6 g/mol |
Molecular Formula | C28H34O9 |
Exact Mass | 514.220283 g/mol |
SpectraBase Spectrum ID | 5FJjI7yRbwi |
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Name | 11-BETA-HYDROXY-7-ALPHA-OBACUNYL-ACETATE |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C28H34O9 |
InChI | InChI=1S/C28H34O9/c1-14(29)34-18-11-17-24(2,3)36-19(31)7-9-25(17,4)20-16(30)12-26(5)21(15-8-10-33-13-15)35-23(32)22-28(26,37-22)27(18,20)6/h7-10,13,16-18,20-22,30H,11-12H2,1-6H3/t16-,17-,18+,20+,21-,22+,25-,26-,27+,28+/m0/s1 |
InChIKey | LQJDEKSQQRKNEE-SFVCMNKQSA-N |
Literature Reference Author | K.MITSUI,M.MAEJIMA,H.FUKAYA,Y.HITOTSUYANAGI,K.TAKEYA |
Literature Reference Citation | PHYTOCHEM.,65,3075(2004) |
Literature Reference DOI | 10.1016/j.phytochem.2004.08.041 |
Molecular Weight | 514.573 g/mol |
Solvent | CDCl3 |
Source File Reference | UWVN30118 |