Basic Information |
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Product Name: | ROBURIC ACID |
CAS: | 6812-81-3 |
English Synonyms: | ROBURIC ACID ; 3-[(1S,2S,4AR,4BS,6AR,9R,10S,10AR,12AR)-2-ISOPROPENYL-1,4A,4B,6A,9,10-HEXAMETHYL-2,3,4,5,6,7,8,9,10,10A,12,12A-DODECAHYDROCHRYSEN-1- |
MDL Number.: | MFCD09953817 |
H bond acceptor: | 2 |
H bond donor: | 1 |
Smile: | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@H]([C@]4(C)CCC(=O)O)C(=C)C)C)[C@@H]2[C@H]1C)C)C |
InChi: | InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1 |
InChiKey: | InChIKey=RPPYCVULPFKBOG-CSHKLQQTSA-N |
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