For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-[3'-methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-16'-.beta.-yl]bromopentane
SpectraBase Compound ID EEHIDD0C4Or
InChI InChI=1S/C24H35BrO2/c1-24-12-11-20-19-10-8-18(27-2)14-16(19)7-9-21(20)22(24)15-17(23(24)26)6-4-3-5-13-25/h8,10,14,17,20-23,26H,3-7,9,11-13,15H2,1-2H3/t17-,20?,21?,22?,23-,24-/m0/s1
InChIKey AIMGAIPUNDYYKL-ZCTINNFXSA-N
Mol Weight 435.4 g/mol
Molecular Formula C24H35BrO2
Exact Mass 434.182043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Jag5PRfhXVB
Name 5-[3'-methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-16'-.beta.-yl]bromopentane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35BrO2
InChI InChI=1S/C24H35BrO2/c1-24-12-11-20-19-10-8-18(27-2)14-16(19)7-9-21(20)22(24)15-17(23(24)26)6-4-3-5-13-25/h8,10,14,17,20-23,26H,3-7,9,11-13,15H2,1-2H3/t17-,20?,21?,22?,23-,24-/m0/s1
InChIKey AIMGAIPUNDYYKL-ZCTINNFXSA-N
Molecular Weight 435.446 g/mol
SMILES O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)ccc(OC)c4)C[C@@]1(CCCCCBr)[H])C)[H]
SPLASH splash10-0019-0110900000-75a0c730999d81c7f363
Source of Spectrum G2-3-519-23
Synonyms 5-[3-methoxy-17.beta.-hydroxy-1,3,5(10)-estratrien-16-.beta.-yl]bromopentane[3](13S,16S,17S)-16-(5-bromopentyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthre n-17-ol
Wiley ID 1661457