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Methyl 17-hydroxy-(ent)-atisan-19-oate

View entire compound with spectra: 1 MS (GC)

Methyl 17-hydroxy-(ent)-atisan-19-oate
SpectraBase Compound ID 235m1UAOZR2
InChI InChI=1S/C21H34O3/c1-19-7-4-8-20(2,18(23)24-3)16(19)6-10-21-9-5-14(11-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16-,17-,19+,20-,21+/m1/s1
InChIKey YSYQTDVOZWSRET-AUXCKPCCSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1z55Vx2A5ul
Name Methyl 17-hydroxy-(ent)-atisan-19-oate
Alternate Name(s) Methyl (4beta,5alpha,9alpha)-17-hydroxyatisan-18-oate Methyl 17-hydroxyatisan-18-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-19-7-4-8-20(2,18(23)24-3)16(19)6-10-21-9-5-14(11-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16-,17-,19+,20-,21+/m1/s1
InChIKey YSYQTDVOZWSRET-AUXCKPCCSA-N
Molecular Weight 334.500 g/mol
SMILES OC[C@]1([C@]2(C[C@@]3([C@@]4([C@]([C@@](C(=O)OC)(C)CCC4)(CC[C@]3(C1)CC2)[H])C)[H])[H])[H]
SPLASH splash10-004i-0095000000-f1194c9b1c46173e7c1a
Source of Spectrum H-87-762-2
Wiley ID 1563670