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Chola-5,16-dien-24-oic acid, 3,20-dihydroxy-, .gamma.-lactone, (3.beta.,20R)-
SpectraBase Compound ID 7QcaHIJz7aq
InChI InChI=1S/C24H34O3/c1-22-11-8-16(25)14-15(22)4-5-17-18-6-7-20(23(18,2)12-9-19(17)22)24(3)13-10-21(26)27-24/h7,14,16-19,25H,4-6,8-13H2,1-3H3/t16-,17-,18-,19-,22-,23-,24+/m0/s1
InChIKey DKGNQESDCUJNMM-OYZXLFCSSA-N
Mol Weight 370.5 g/mol
Molecular Formula C24H34O3
Exact Mass 370.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQ3D8e7sObV
Name Chola-5,16-dien-24-oic acid, 3,20-dihydroxy-, .gamma.-lactone, (3.beta.,20R)-
CAS Registry Number 115320-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O3
InChI InChI=1S/C24H34O3/c1-22-11-8-16(25)14-15(22)4-5-17-18-6-7-20(23(18,2)12-9-19(17)22)24(3)13-10-21(26)27-24/h7,14,16-19,25H,4-6,8-13H2,1-3H3/t16-,17-,18-,19-,22-,23-,24+/m0/s1
InChIKey DKGNQESDCUJNMM-OYZXLFCSSA-N
Molecular Weight 370.533 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C([C@@]5(OC(=O)CC5)C)=CC[C@]4([C@@]3(CCC2=C1)[H])[H])C)[H])C)[H]
SPLASH splash10-052g-9000000000-8dead1873bede06a55cd
Source of Spectrum J-53-3472-6
Synonyms (20R)-3.beta.,20-dihydroxy-5,10-choladien-24-oic lactone (5R)-5-[(3beta)-3-hydroxyandrosta-4,16-dien-17-yl]-5-methyldihydro-2(3H)-furanone
Wiley ID 1354654