Description
IUPAC Name: (1R,2R,6S,10S,14R,15R)-1,13,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
InChI: InChI=1S/C20H28O5/c1-9-5-13-12(15(9)22)6-11(8-21)7-14-16-18(3,4)20(16,25)17(23)10(2)19(13,14)24/h5,7,10,12-14,16-17,21,23-25H,6,8H2,1-4H3/t10-,12+,13-,14+,16?,17-,19+,20?/m1/s1
InChIKey: RTJAYUGZUOLFMY-IKGOZQHVSA-N
Canonical SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)CO)C)O)O)O
Isomeric SMILES: C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@H]4CC(=C3)CO)C)O)O)O
Synonyms: 79083-67-3; 4-Deoxyphorbol; DTXSID901000254; 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-; 7b,9,9a-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-E]azulen-5-one
Botanical Source: Croton tiglium L.