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1,1,4a-trimethyl-5,6,8-tris(oxidanyl)-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione
SpectraBase Compound ID 8LzysIsPnOB
InChI InChI=1S/C20H26O5/c1-9(2)10-13(21)11-12(16(24)14(10)22)20(5)8-6-7-19(3,4)18(20)17(25)15(11)23/h9,18,21-22,24H,6-8H2,1-5H3
InChIKey BOJAIXICOJBWOB-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3VFsThOi2J
Name 1,1,4a-trimethyl-5,6,8-tris(oxidanyl)-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione
CAS Registry Number 65714-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-9(2)10-13(21)11-12(16(24)14(10)22)20(5)8-6-7-19(3,4)18(20)17(25)15(11)23/h9,18,21-22,24H,6-8H2,1-5H3
InChIKey BOJAIXICOJBWOB-UHFFFAOYSA-N
Molecular Weight 346.423 g/mol
SMILES Oc1c2c(c(c(c1O)C(C)C)O)C(C(C1C(CCCC21C)(C)C)=O)=O
SPLASH splash10-001i-0049000000-e40b816ce630b6751225
Source of Spectrum H-60-2776-0
Synonyms 5,6,8-trihydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione 5,6,8-trihydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione 5,6,8-trihydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthrene-9,10-quinone
Wiley ID 1339355