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

*Links on SpectraBase are not permalinks.
18-nor-16-oxaandrosta-13(17),14-dien-2-one, 3-hydroxy-4,8-bis(hydroxymethyl)-4-methyl-, (3alpha,4beta,5alpha)-
SpectraBase Compound ID BmpaxMcniRO
InChI InChI=1S/C20H28O5/c1-18-7-14(23)17(24)19(2,10-21)15(18)5-6-20(11-22)13-9-25-8-12(13)3-4-16(18)20/h8-9,15-17,21-22,24H,3-7,10-11H2,1-2H3/t15-,16-,17-,18+,19+,20?/m1/s1
InChIKey MCWBEUKGVFWARY-INIXSKEHSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 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 Ax2hTIXZ7xF
Name 18-nor-16-oxaandrosta-13(17),14-dien-2-one, 3-hydroxy-4,8-bis(hydroxymethyl)-4-methyl-, (3alpha,4beta,5alpha)-
CAS Registry Number 71302-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-18-7-14(23)17(24)19(2,10-21)15(18)5-6-20(11-22)13-9-25-8-12(13)3-4-16(18)20/h8-9,15-17,21-22,24H,3-7,10-11H2,1-2H3/t15-,16-,17-,18+,19+,20?/m1/s1
InChIKey MCWBEUKGVFWARY-INIXSKEHSA-N
Molecular Weight 348.439 g/mol
SMILES OC[C@]1([C@]2([C@](CC([C@]1(O)[H])=O)([C@@]1(C(CC2)(c2cocc2CC1)CO)[H])C)[H])C
SPLASH splash10-014s-0769000000-eb337abb787fd56dff35
Source of Spectrum B-32-878-0
Synonyms Epispongiatriol Spongiatriol
Wiley ID 1340700