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

*Links on SpectraBase are not permalinks.
(1S,2S,4aS,10aR)-1-(hydroxymethyl)-7-isopropyl-8-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,5-diol
SpectraBase Compound ID 9sRHhhCGgc1
InChI InChI=1S/C21H32O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16-17,22-24H,6-9,11H2,1-5H3/t16-,17+,20+,21-/m1/s1
InChIKey UZFMQGZVASNYID-SQBLYHGDSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 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 2kj6Cyd8lo8
Name (1S,2S,4aS,10aR)-1-(hydroxymethyl)-7-isopropyl-8-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,5-diol
Alternate Name(s) (1S,2S,4aS,10aR)-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,5-diol (1S,2S,4aS,10aR)-7-isopropyl-8-methoxy-1,4a-dimethyl-1-methylol-2,3,4,9,10,10a-hexahydrophenanthrene-2,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16-17,22-24H,6-9,11H2,1-5H3/t16-,17+,20+,21-/m1/s1
InChIKey UZFMQGZVASNYID-SQBLYHGDSA-N
Molecular Weight 348.483 g/mol
SMILES Oc1cc(c(c2c1[C@]1(CC[C@@]([C@@]([C@@]1(CC2)[H])(CO)C)(O)[H])C)OC)C(C)C
SPLASH splash10-0002-2149000000-d0fb1a9e513d644261df
Source of Spectrum KC-57-8421-7
Wiley ID 1626072