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7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.beta.-yl]-methanol
SpectraBase Compound ID 7XJQJcGPiDj
InChI InChI=1S/C20H28O3/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13(11-21)19(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16?,17?,18?,19+,20+/m1/s1
InChIKey LFRSVHPVBIECFA-RRYXWJBZSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IojVVUmmuwR
Name 7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.beta.-yl]-methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13(11-21)19(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16?,17?,18?,19+,20+/m1/s1
InChIKey LFRSVHPVBIECFA-RRYXWJBZSA-N
Molecular Weight 316.441 g/mol
SMILES O[C@]1([C@@](CO)(CC2[C@@]1(CCC1c3c(CCC21)cc(cc3)OC)C)[H])[H]
SPLASH splash10-014i-0269000000-940f026aee72a0efaa73
Source of Spectrum SK-25-2494-6
Synonyms (13S,16R,17S)-16-Hydroxymethyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
Wiley ID 866899