CHOLAN-24-OIC ACID, 3-AZIDO-7,12-DIHYDROXY-, METHYL ESTER, (3BETA,5BETA,7ALPHA,12ALPHA)-

CAS No.
135053-61-1
CCD No.
CCD06667482
Formula
C25 H41 N3 O4
MolWeight
447.616

Basic Information

Product Name: CHOLAN-24-OIC ACID, 3-AZIDO-7,12-DIHYDROXY-, METHYL ESTER, (3BETA,5BETA,7ALPHA,12ALPHA)-
CAS: 135053-61-1
English Synonyms: CHOLAN-24-OIC ACID, 3-AZIDO-7,12-DIHYDROXY-, METHYL ESTER, (3BETA,5BETA,7ALPHA,12ALPHA)-
MDL Number.: MFCD21608615
H bond acceptor: 7
H bond donor: 2
Smile: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)N=[N+]=[N-])C)O)O)C
InChi: InChI=1S/C25H41N3O4/c1-14(5-8-22(31)32-4)17-6-7-18-23-19(13-21(30)25(17,18)3)24(2)10-9-16(27-28-26)11-15(24)12-20(23)29/h14-21,23,29-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChiKey: InChIKey=MDUASBVGFDAVFE-RMPHWFMRSA-N

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