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KadcoccinoneA
CAS Number: 1809057-19-9
IUPAC name: (E,4S,6R)-6-[(3R,4aR,6bR,9R,10aS,11aS,11bR)-3-acetyloxy-4,4,6b,11b-tetramethyl-10-methylidene-2,3,4a,5,7,8,9,10a,11,11a-decahydro-1H-benzo[a]fluoren-9-yl]-4-hydroxy-2-methylhept-2-enoic acid
Molecular formula: C32H48O5
Molecular weight: 512.7
InChI: InChI=1S/C32H48O5/c1-18(15-22(34)16-19(2)29(35)36)23-11-13-31(7)24-9-10-27-30(5,6)28(37-21(4)33)12-14-32(27,8)26(24)17-25(31)20(23)3/h9,16,18,22-23,25-28,34H,3,10-15,17H2,1-2,4-8H3,(H,35,36)/b19-16+/t18-,22+,23-,25+,26-,27+,28-,31+,32-/m1/s1
InChIKey: PATMQWJBKLRRDH-QWODCRRYSA-N
SMILES: -
EINECS: C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1CC[C@@]2([C@H](C1=C)C[C@@H]3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C
