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18-Nor-16-oxaandrosta-13(17),14-dien-2-one, 3-hydroxy-4,8-bis(hydroxymethyl)-4-methyl-, (3.beta.,4.beta.,5.alpha.)-
SpectraBase Compound ID Bbm9MNQvEEj
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-ZZKIIZBLSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cih1JsDHggU
Name 18-Nor-16-oxaandrosta-13(17),14-dien-2-one, 3-hydroxy-4,8-bis(hydroxymethyl)-4-methyl-, (3.beta.,4.beta.,5.alpha.)-
CAS Registry Number 71302-29-9
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-ZZKIIZBLSA-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 splash10-00kv-6897000000-764129b9be40e077a928
Source of Spectrum B-32-878-0
Synonyms Phenanthro[1,2-c]furan, 18-nor-16-oxaandrosta-13(17),14-dien-2-one deriv. (5aR,6R,7R,9aR,9bR)-7-hydroxy-3b,6-bis(hydroxymethyl)-6,9a-dimethyl-3b,5,5a,6,7,9,9a,9b,10,11-decahydrophenanthro[1,2-c]furan-8(4H)-one 3.beta.,17,19-trihydroxyspongia-13(16),14-dien-2-one
Wiley ID 1340702