Basic Information |
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Product Name: | (3BETA)-3-(3-CARBOXY-1-OXOPROPOXY)-URS-12-EN-28-OIC ACID |
CAS: | 54717-85-0 |
English Synonyms: | (3BETA)-3-(3-CARBOXY-1-OXOPROPOXY)-URS-12-EN-28-OIC ACID ; URS-12-EN-28-OIC ACID,3-(3-CARBOXY-1-OXOPROPOXY)-,(3BETA)- ; URS-12-EN-28-OIC ACID, 3-(3-CARBOXY-1-OXOPROPOXY)-, (3B)- |
MDL Number.: | MFCD11113453 |
H bond acceptor: | 6 |
H bond donor: | 2 |
Smile: | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CCC(=O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
InChi: | InChI=1S/C34H52O6/c1-20-12-17-34(29(38)39)19-18-32(6)22(28(34)21(20)2)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h8,20-21,23-25,28H,9-19H2,1-7H3,(H,35,36)(H,38,39)/t20-,21+,23+,24-,25+,28+,31+,32-,33-,34+/m1/s1 |
InChiKey: | InChIKey=CLXXRDCPKAFZFM-NLNDANQGSA-N |
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