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1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclopregn-17(20)-en-3-ol deriv.
SpectraBase Compound ID 4oPXUF4MSRL
InChI InChI=1S/C26H40O2/c1-7-18-10-12-24(6)20-9-8-19-22(3,4)21(28-17(2)27)11-13-25(19)16-26(20,25)15-14-23(18,24)5/h7,19-21H,8-16H2,1-6H3/b18-7+/t19-,20-,21-,23+,24-,25+,26?/m0/s1
InChIKey HKWPQAJDXAWWSD-AQNATZSVSA-N
Mol Weight 384.6 g/mol
Molecular Formula C26H40O2
Exact Mass 384.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMCCnSEZpQA
Name 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclopregn-17(20)-en-3-ol deriv.
Alternate Name(s) 9,19-Cyclopregn-17(20)-en-3-ol, 4,4,14-trimethyl-, acetate, (3.beta.,5.alpha.)- (1E,3aS,3bS,5aR,7S,9aR,12aR)-1-ethylidene-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl acetate 3.beta.-acetoxy-4,4,14.alpha.-trimethyl-9,19-cyclo-5.alpha.-pregn-17(20)-ene
CAS Registry Number 64371-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O2
InChI InChI=1S/C26H40O2/c1-7-18-10-12-24(6)20-9-8-19-22(3,4)21(28-17(2)27)11-13-25(19)16-26(20,25)15-14-23(18,24)5/h7,19-21H,8-16H2,1-6H3/b18-7+/t19-,20-,21-,23+,24-,25+,26?/m0/s1
InChIKey HKWPQAJDXAWWSD-AQNATZSVSA-N
Molecular Weight 384.604 g/mol
SMILES C123[C@@]4([C@@](C(C)(C)[C@](CC4)(OC(=O)C)[H])([H])CC[C@]3([C@@]3(CC\C([C@]3(CC1)C)=C/C)C)[H])C2
SPLASH splash10-06ya-0900000000-0a53232b22331d565cff
Source of Spectrum F-33-1054-0
Wiley ID 1361889