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3-Methoxy-17-phenyl-1,3,5(10),14(15),16(17)-estrapentaene
SpectraBase Compound ID 6M1WWweTmon
InChI InChI=1S/C25H26O/c1-25-15-14-21-20-11-9-19(26-2)16-18(20)8-10-22(21)24(25)13-12-23(25)17-6-4-3-5-7-17/h3-7,9,11-13,16,21-22H,8,10,14-15H2,1-2H3/t21-,22-,25-/m1/s1
InChIKey UBOWVMCXTQXJAI-TZBSWOFLSA-N
Mol Weight 342.48 g/mol
Molecular Formula C25H26O
Exact Mass 342.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMl4NQWCYlk
Name 3-Methoxy-17-phenyl-1,3,5(10),14(15),16(17)-estrapentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O
InChI InChI=1S/C25H26O/c1-25-15-14-21-20-11-9-19(26-2)16-18(20)8-10-22(21)24(25)13-12-23(25)17-6-4-3-5-7-17/h3-7,9,11-13,16,21-22H,8,10,14-15H2,1-2H3/t21-,22-,25-/m1/s1
InChIKey UBOWVMCXTQXJAI-TZBSWOFLSA-N
Molecular Weight 342.482 g/mol
SMILES [C@@]12(C([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])=CC=C1c1ccccc1)C
SPLASH splash10-004i-0509000000-732728c8d19bcc737a3f
Source of Spectrum SO-0-816-4
Synonyms 3-Methoxy-17-phenylestra-1,3,5(10),14,16-pentaene
Wiley ID 1540959