Name: | (2ALPHA,3BETA)-2,3-DIHYDROXY-URS-12-EN-28-OIC ACID BETA-D-GLUCOPYRANOSYL ESTER |
CAS: | 155653-85-3 |
Synonyms: | (2A,3BETA)-2,3-DIHYDROXY-URS-12-EN-28-OIC ACID B-D-GLUCOPYRANOSYL ESTER ; (2ALPHA,3BETA)-2,3-DIHYDROXY-URS-12-EN-28-OIC ACID BETA-D-GLUCOPYRANOSYL ESTER |
MDL.: | MFCD11113462 |
H bond acceptor: | 9 |
H bond donor: | 6 |
Smile: | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
InChi: | InChI=1S/C36H58O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18-19,21-30,37-42H,9-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1 |
InChiKey: | InChIKey=HZKJZYRLLBKBHA-CKPBXHSSSA-N |
(2ALPHA,3BETA)-2,3-DIHYDROXY-URS-12-EN-28-OIC ACID BETA-D-GLUCOPYRANOSYL ESTER
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