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METHYL-7BETA-ACETOXY-7H-3-ISORESERPATE;METHYL-7ALPHA-ACETOXY-18BETA-HYDROXY-11,17-ALPHA-DIMETHOXY-7H-3-BETA,20-ALPHA-YOHIMBANE-16-BETA-CARBOXYLATE
SpectraBase Compound ID 2aASs2fmmEy
InChI InChI=1S/C25H32N2O7/c1-13(28)34-25-7-8-27-12-14-9-20(29)22(32-3)21(24(30)33-4)16(14)11-19(27)23(25)26-18-10-15(31-2)5-6-17(18)25/h5-6,10,14,16,19-22,29H,7-9,11-12H2,1-4H3/t14-,16+,19+,20-,21+,22+,25+/m1/s1
InChIKey VSGDFDBMVIVAIG-AHPIHKQWSA-N
Mol Weight 472.5 g/mol
Molecular Formula C25H32N2O7
Exact Mass 472.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4Vg9y0g1aW
Name Methyl 7.alpha.-acetoxy-18.beta.-hydroxy-11,17.alpha.-dimethoxy-7H-20.alpha.-yohimbane-16.beta.-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O7
InChI InChI=1S/C25H32N2O7/c1-13(28)34-25-7-8-27-12-14-9-20(29)22(32-3)21(24(30)33-4)16(14)11-19(27)23(25)26-18-10-15(31-2)5-6-17(18)25/h5-6,10,14,16,19-22,29H,7-9,11-12H2,1-4H3/t14-,16+,19+,20-,21+,22+,25+/m1/s1
InChIKey VSGDFDBMVIVAIG-AHPIHKQWSA-N
Molecular Weight 472.538 g/mol
SMILES O[C@@]1(C[C@]2([C@@]([C@@]([C@]1(OC)[H])(C(=O)OC)[H])(C[C@]1(C=3[C@@](c4ccc(cc4N3)OC)(CCN1C2)OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-03di-0110900000-cd01becfd397db9c86f7
Source of Spectrum H-77-1344-20
Synonyms (7alpha,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxy-16-(methoxycarbonyl)-1,2-didehydro-2,7-dihydroyohimban-7-yl acetate
Wiley ID 1393328