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2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, monomethyl ether, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-

View entire compound with spectra: 1 MS (GC)

2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, monomethyl ether, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID 7VcLLjzZMMZ
InChI InChI=1S/C21H32O2/c1-13(2)15-11-14-7-8-18-20(3,4)19(23-6)9-10-21(18,5)16(14)12-17(15)22/h11-13,18-19,22H,7-10H2,1-6H3/t18-,19-,21+/m0/s1
InChIKey QWZDZALGTZBQOA-IRFCIJBXSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52GxTDeYZCq
Name 2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, monomethyl ether, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-
Alternate Name(s) (3beta)-3-methoxyabieta-8,11,13-trien-12-ol
CAS Registry Number 72361-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(2)15-11-14-7-8-18-20(3,4)19(23-6)9-10-21(18,5)16(14)12-17(15)22/h11-13,18-19,22H,7-10H2,1-6H3/t18-,19-,21+/m0/s1
InChIKey QWZDZALGTZBQOA-IRFCIJBXSA-N
Molecular Weight 316.485 g/mol
SMILES Oc1c(C(C)C)cc2c([C@@]3([C@](C(C)(C)[C@](CC3)(OC)[H])(CC2)[H])C)c1
SPLASH splash10-014i-0589000000-44c4ef91d1f238a49001
Source of Spectrum W5-28491-0-0
Wiley ID 1317217