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3-O-Acetyl-α-boswellic acid , CAS No.89913-60-0
Basic Description
Synonyms | CHEBI:68104 | .alpha.-Boswellic acid acetate | 3-O-Acetyl-alpha-boswellic acid | ACETYL-.ALPHA.-BOSWELLIC ACID | methyltrimethylacetate | A-boswellic acid | alpha-Boswellic acid acetate | UNII-BIO9XQ683U | (3,4)-3-(Acetyloxy)olean-12-en-23-oic acid; 3-O-A |
Storage Temp | Room temperature |
Shipped In | Normal |
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Associated Targets(Human)
Associated Targets(non-human)
Names and Identifiers
IUPAC Name | (3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-acetyloxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid |
INCHI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(5)23-10-9-21-22-19-27(2,3)15-16-28(22,4)17-18-30(21,6)31(23,7)14-11-24(29)32(25,8)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23+,24+,25+,28+,29+,30+,31+,32+/m0/s1 |
InChi Key | IAWGZKRQDHPFCZ-OBHGTAHRSA-N |
Canonical SMILES | CC(=O)OC1CCC2(C(C1(C)C(=O)O)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
Isomeric SMILES | CC(=O)O[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C |
PubChem CID | 15181201 |
Molecular Weight | 498.74 |
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