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26,27-Dinorergostan-11-one, 3-(acetyloxy)-, (3.alpha.)-
SpectraBase Compound ID GrVb7QxT6jM
InChI InChI=1S/C28H46O3/c1-17(2)7-8-18(3)23-11-12-24-22-10-9-20-15-21(31-19(4)29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h17-18,20-24,26H,7-16H2,1-6H3/t18-,20?,21-,22+,23-,24+,26-,27+,28-/m1/s1
InChIKey LAMRJEHFVJODBJ-GWUHADOFSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImMDFyNudL0
Name 26,27-Dinorergostan-11-one, 3-(acetyloxy)-, (3.alpha.)-
Alternate Name(s) (1S,2S,5R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-5-methylhexan-2-yl]-17-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate
CAS Registry Number 57983-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-17(2)7-8-18(3)23-11-12-24-22-10-9-20-15-21(31-19(4)29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h17-18,20-24,26H,7-16H2,1-6H3/t18-,20?,21-,22+,23-,24+,26-,27+,28-/m1/s1
InChIKey LAMRJEHFVJODBJ-GWUHADOFSA-N
Molecular Weight 430.673 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(C(C2)=O)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0006-9731100000-ee8d66550376d30d52a7
Source of Spectrum SD-1981-0-0
Wiley ID 1381756