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9E,10E-Dihydroxy-1,2,3,4,4a,9,10,10a-(trans-4a,10a)-octahydrophenanthrene dicarbamate
SpectraBase Compound ID 6rhErW7Tbue
InChI InChI=1S/C16H20N2O4/c17-15(19)21-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)22-16(18)20/h1,3,5,7,10,12-14H,2,4,6,8H2,(H2,17,19)(H2,18,20)/t10-,12+,13?,14?/m0/s1
InChIKey YHLGHBVUFLZEBN-WHNWWWKISA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8C1U2jLHGj
Name 9E,10E-Dihydroxy-1,2,3,4,4a,9,10,10a-(trans-4a,10a)-octahydrophenanthrene dicarbamate
Alternate Name(s) (4aR,10aR)-10-[(aminocarbonyl)oxy]-1,2,3,4,4a,9,10,10a-octahydro-9-phenanthrenyl carbamate
CAS Registry Number 53447-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c17-15(19)21-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)22-16(18)20/h1,3,5,7,10,12-14H,2,4,6,8H2,(H2,17,19)(H2,18,20)/t10-,12+,13?,14?/m0/s1
InChIKey YHLGHBVUFLZEBN-WHNWWWKISA-N
Molecular Weight 304.346 g/mol
SMILES NC(OC1C(OC(=O)N)c2c([C@@]3(CCCC[C@@]13[H])[H])cccc2)=O
SPLASH splash10-0pbc-1920000000-c82be6e6d74736032c1f
Source of Spectrum W5-1989-33355-32181
Wiley ID 1306338