12-KETOLITHOCHOLIC ACID 3-FORMATE_Chemical Cloud Database

12-KETOLITHOCHOLIC ACID 3-FORMATE

Basic Information
Product Name：	12-KETOLITHOCHOLIC ACID 3-FORMATE
English Synonyms：	5BETA-CHOLANIC ACID-3ALPHA-OL-12-ONE 3-FORMATE ; 12-KETOLITHOCHOLIC ACID 3-FORMATE
MDL Number.：	MFCD00273339
H bond acceptor：	5
H bond donor：	1
Smile：	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)C
InChi：	InChI=1S/C25H38O5/c1-15(4-9-23(28)29)19-7-8-20-18-6-5-16-12-17(30-14-26)10-11-24(16,2)21(18)13-22(27)25(19,20)3/h14-21H,4-13H2,1-3H3,(H,28,29)/t15-,16-,17-,18+,19-,20+,21+,24+,25-/m1/s1
InChiKey：	InChIKey=JIAQXWKDZDJACF-BXVWHTCBSA-N

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