GHS
GHS Classification Search
KadcoccinoneP
CAS Number: 2098657-55-5
IUPAC name: (E,6R)-6-[(3R,9R,10R,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Molecular formula: C32H50O4
Molecular weight: 498.7
InChI: InChI=1S/C32H50O4/c1-20(10-9-11-21(2)28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-22(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h11-12,20,23-24,26-27H,9-10,13-19H2,1-8H3,(H,34,35)/b21-11+/t20-,23-,24+,26?,27-,30-,31-,32+/m1/s1
InChIKey: FOIMMSPGSVDRPB-HUDNQCQHSA-N
SMILES: -
EINECS: C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C
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