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3,17-Dimethyl-18,19-dinor-17.alpha.-stigmasta-1,3,5,7,9,11,13-heptaene
SpectraBase Compound ID 1XWy0sSPL8J
InChI InChI=1S/C29H38/c1-7-22(19(2)3)10-9-21(5)29(6)17-16-27-26-13-11-23-18-20(4)8-12-24(23)25(26)14-15-28(27)29/h8,11-15,18-19,21-22H,7,9-10,16-17H2,1-6H3/t21-,22?,29?/m1/s1
InChIKey PONYOPSWHYCRKW-WLMTWUAQSA-N
Mol Weight 386.6 g/mol
Molecular Formula C29H38
Exact Mass 386.297351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LvGx6vEIzb
Name 3,17-Dimethyl-18,19-dinor-17.alpha.-stigmasta-1,3,5,7,9,11,13-heptaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38
InChI InChI=1S/C29H38/c1-7-22(19(2)3)10-9-21(5)29(6)17-16-27-26-13-11-23-18-20(4)8-12-24(23)25(26)14-15-28(27)29/h8,11-15,18-19,21-22H,7,9-10,16-17H2,1-6H3/t21-,22?,29?/m1/s1
InChIKey PONYOPSWHYCRKW-WLMTWUAQSA-N
Molecular Weight 386.623 g/mol
SMILES c12c(c3ccc4c(c3cc2)ccc(C)c4)CCC1([C@@](CCC(C(C)C)CC)(C)[H])C
SPLASH splash10-0002-0090000000-157d3ff8034281957781
Source of Spectrum PS-50-1742-34
Wiley ID 1363256