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[3R-(3.beta.,3a.alpha.,5aR,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid

View entire compound with spectra: 1 MS (GC)

[3R-(3.beta.,3a.alpha.,5aR,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid
SpectraBase Compound ID 3AnqhAGhMHK
InChI InChI=1S/C20H30O2/c1-18(2)9-4-10-19(3)15(18)8-12-20-11-7-14(20)13(17(21)22)5-6-16(19)20/h7,11,13-16H,4-6,8-10,12H2,1-3H3,(H,21,22)/t13-,14-,15+,16-,19+,20+/m0/s1
InChIKey JXXLEZKZTVNNOW-SBCDLMKJSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cq7hwUG3v28
Name [3R-(3.beta.,3a.alpha.,5aR,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid
CAS Registry Number 138644-37-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-18(2)9-4-10-19(3)15(18)8-12-20-11-7-14(20)13(17(21)22)5-6-16(19)20/h7,11,13-16H,4-6,8-10,12H2,1-3H3,(H,21,22)/t13-,14-,15+,16-,19+,20+/m0/s1
InChIKey JXXLEZKZTVNNOW-SBCDLMKJSA-N
Molecular Weight 302.458 g/mol
SMILES OC([C@@]1([C@]2([C@@]3([C@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)(CC1)[H])C=C2)[H])[H])=O
SPLASH splash10-0udi-0039000000-460c2f2ad721af84cdcf
Source of Spectrum J-57-6867-18
Synonyms (3S,3aS,5aR,7aR,11aR,11bS)-8,8,11a-trimethyl-1,3,3a,6,7,7a,8,9,10,11,11a,11b-dodecahydro-2H-cyclobuta[j]phenanthrene-3-carboxylic acid
Wiley ID 1305165