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CBUIVGCWYRGCIK-KPHUOKFYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

CBUIVGCWYRGCIK-KPHUOKFYSA-N
SpectraBase Compound ID A9pLB5P9obm
InChI InChI=1S/C20H30O3/c1-11(2)14-8-12-6-7-15-19(3,4)9-13(21)10-20(15,5)16(12)18(23)17(14)22/h8,11,13,15,21-23H,6-7,9-10H2,1-5H3/t13-,15-,20-/m0/s1
InChIKey CBUIVGCWYRGCIK-KPHUOKFYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESYGSLosdRB
Name (4bS,6S,8aS)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4,6-triol
Alternate Name(s) (4bS,6S,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4,6-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-11(2)14-8-12-6-7-15-19(3,4)9-13(21)10-20(15,5)16(12)18(23)17(14)22/h8,11,13,15,21-23H,6-7,9-10H2,1-5H3/t13-,15-,20-/m0/s1
InChIKey CBUIVGCWYRGCIK-KPHUOKFYSA-N
Molecular Weight 318.457 g/mol
SMILES Oc1c(cc2CC[C@@]3([C@@](c2c1O)(C[C@](CC3(C)C)(O)[H])C)[H])C(C)C
SPLASH splash10-014i-9043000000-0fe99565774fce624b3f
Source of Spectrum X2-52-1314-1
Wiley ID 1603355