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2H-Benz[e]indene-3,7-diol, 3,3a,4,5-tetrahydro-3a-methyl-, diacetate, (3S-cis)-
SpectraBase Compound ID HsDwicAtbCI
InChI InChI=1S/C18H20O4/c1-11(19)21-14-4-5-15-13(10-14)8-9-18(3)16(15)6-7-17(18)22-12(2)20/h4-6,10,17H,7-9H2,1-3H3/t17-,18-/m0/s1
InChIKey WVLYGGLEGGCLJL-ROUUACIJSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEHzFgdRGYB
Name 2H-Benz[e]indene-3,7-diol, 3,3a,4,5-tetrahydro-3a-methyl-, diacetate, (3S-cis)-
Alternate Name(s) (3S,3aS)-3-(acetyloxy)-3a-methyl-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-7-yl acetate 5,17.beta.-diacetoxy-de-a-estra-5,7,9,14-tetraene
CAS Registry Number 71805-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-11(19)21-14-4-5-15-13(10-14)8-9-18(3)16(15)6-7-17(18)22-12(2)20/h4-6,10,17H,7-9H2,1-3H3/t17-,18-/m0/s1
InChIKey WVLYGGLEGGCLJL-ROUUACIJSA-N
Molecular Weight 300.354 g/mol
SMILES C1=2[C@@]([C@@](OC(=O)C)(CC2)[H])(CCc2c1ccc(OC(=O)C)c2)C
SPLASH splash10-0002-0910000000-bee4d4882db3568ae1a4
Source of Spectrum KC-1979-1324-0
Wiley ID 1303035