Specification
Synonyms
4BETA,9ALPHA,12BETA,13ALPHA,20-PENTAHYDROXYTIGLIA-1,6-DIEN-3-ONE;PHORBOL;,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethy;,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1,;4)benz(1,2-e)azulen-5-o
Canonical SMILES
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O
InChI
InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1
InChI Key
QGVLYPPODPLXMB-UBTYZVCOSA-N
Boiling Point
572ºC at 760 mmHg
Melting Point
250-251ºC DECOMP
Hazard Statements
T+: Very toxic;
Safety Description
26-27-36/37/39-45-28