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1'H-Androst-16-eno[17,16-b]indol-3-ol, acetate (ester), (3.beta.,5.alpha.)-
SpectraBase Compound ID 3f9xwpiFAkl
InChI InChI=1S/C27H35NO2/c1-16(29)30-18-10-12-26(2)17(14-18)8-9-20-22(26)11-13-27(3)23(20)15-21-19-6-4-5-7-24(19)28-25(21)27/h4-7,17-18,20,22-23,28H,8-15H2,1-3H3/t17-,18-,20+,22-,23-,26-,27-/m0/s1
InChIKey GRDYLEBAOTVVKU-PRIKIRSSSA-N
Mol Weight 405.6 g/mol
Molecular Formula C27H35NO2
Exact Mass 405.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISHsT9sPgJt
Name 1'H-Androst-16-eno[17,16-b]indol-3-ol, acetate (ester), (3.beta.,5.alpha.)-
Alternate Name(s) (2S,4aS,4bS,6aS,12aS,12bR,14aS)-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,12,12a,12b,13,14,14a-hexadecahydronaphtho[2',1':4,5]indeno[1,2-b]indol-2-yl acetate 3.beta.(5.alpha.)-acetoxy-androstano(17,16-b)indole 3.beta.-acetoxy-5.alpha.-androstano[17,16-b]indole
CAS Registry Number 39987-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO2
InChI InChI=1S/C27H35NO2/c1-16(29)30-18-10-12-26(2)17(14-18)8-9-20-22(26)11-13-27(3)23(20)15-21-19-6-4-5-7-24(19)28-25(21)27/h4-7,17-18,20,22-23,28H,8-15H2,1-3H3/t17-,18-,20+,22-,23-,26-,27-/m0/s1
InChIKey GRDYLEBAOTVVKU-PRIKIRSSSA-N
Molecular Weight 405.582 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1([C@@](C2)([C@@]2(CC[C@@]3([C@@]([C@]2(CC1)[H])(CC[C@@](C3)(OC(=O)C)[H])C)[H])[H])[H])C
SPLASH splash10-0a4l-0507900000-b400f505bcf2a1f9c568
Source of Spectrum EP-7044-0-0
Wiley ID 1371837