Basic Information |
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Product Name: | CHOLAN-24-OIC ACID, 7,12-DIHYDROXY-3-[[(4-METHYLPHENYL)SULFONYL]OXY]-, (3ALPHA,5BETA,7ALPHA,12ALPHA)- |
CAS: | 85121-72-8 |
English Synonyms: | CHOLAN-24-OIC ACID, 7,12-DIHYDROXY-3-[[(4-METHYLPHENYL)SULFONYL]OXY]-, (3ALPHA,5BETA,7ALPHA,12ALPHA)- |
MDL Number.: | MFCD21608614 |
H bond acceptor: | 7 |
H bond donor: | 3 |
Smile: | Cc1ccc(cc1)S(=O)(=O)O[C@@H]2CC[C@]3([C@@H](C2)C[C@H]([C@@H]4[C@@H]3C[C@@H]([C@]5([C@H]4CC[C@@H]5[C@H](C)CCC(=O)O)C)O)O)C |
InChi: | InChI=1S/C31H46O7S/c1-18-5-8-22(9-6-18)39(36,37)38-21-13-14-30(3)20(15-21)16-26(32)29-24-11-10-23(19(2)7-12-28(34)35)31(24,4)27(33)17-25(29)30/h5-6,8-9,19-21,23-27,29,32-33H,7,10-17H2,1-4H3,(H,34,35)/t19-,20+,21-,23-,24+,25+,26-,27+,29+,30+,31-/m1/s1 |
InChiKey: | InChIKey=QFUZDNVLLWYPDD-UOHJWHLMSA-N |
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