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China New Chemical Substance Search
KadcoccinicacidJ
CAS Number: 1802768-45-1
IUPAC name: (Z,6R)-6-[(3R,3aR,4S,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-4-methoxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Molecular formula: C31H48O5
Molecular weight: 500.7
InChI: InChI=1S/C31H48O5/c1-19(2)22-12-13-24-25(29(22,5)16-15-27(32)33)18-26(36-8)31(7)23(14-17-30(24,31)6)20(3)10-9-11-21(4)28(34)35/h11,18,20,22-24,26H,1,9-10,12-17H2,2-8H3,(H,32,33)(H,34,35)/b21-11-/t20-,22+,23-,24-,26+,29+,30+,31+/m1/s1
InChIKey: GUPPEZTVKFRPJW-RXJUGCOSSA-N
SMILES: -
EINECS: C[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1([C@H](C=C3[C@H]2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)OC)C)C
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