3-OXO-CHOLA-4,6-DIEN-24-OIC ACID

CAS No.
88179-71-9
CCD No.
CCD00093392
Formula
C24 H34 O3
MolWeight
370.53

Basic Information

Product Name: 3-OXO-CHOLA-4,6-DIEN-24-OIC ACID
CAS: 88179-71-9
English Synonyms: 3-OXO-CHOLA-4,6-DIEN-24-OIC ACID
MDL Number.: MFCD00200652
H bond acceptor: 3
H bond donor: 1
Smile: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C
InChi: InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1
InChiKey: InChIKey=CREVIXFSUWYGRJ-IHMUCKAYSA-N

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