12-O-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate

Chemistry informtion about 12-O-Tetradeca-2-Cis-4-Trans,6,8-Tetra-Enoylphorbol-13-Acetate(CAS NO.64604-09-7) is:
Synonyms:12-O-Tetradeca-2-cis,4-trans,6,8-tetraenoylphorbol-13-acetate ; BRN 2319821 ; TI-8 
Systematic Name:2,4,6,8-Tetradecatetraenoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester 2,4,6,8-Tetradecatetraenoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))- 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-
beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-hydroxymethyl-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-, 9a-acetate, 9-tetradeca-2,4,6,8-tetraenoate, (2Z,4E)-
Molecular Weight: 608.76152 [g/mol]
Molecular Formula: C₃₆H₄₈O₈
XLogP3-AA: 5.1
H-Bond Donor: 3
H-Bond Acceptor: 8
Density: 1.22 g/cm³
Flash Point: 223.1 °C
Enthalpy of Vaporization: 121.84 kJ/mol
Boiling Point: 731.1 °C at 760 mmHg
Vapour Pressure: 1.13E-24 mmHg at 25°C
Following is the molecular structure of 12-O-Tetradeca-2-Cis-4-Trans,6,8-Tetra-Enoylphorbol-13-Acetate(CAS NO.64604-09-7) is:

Questionable carcinogen with experimental tumorigenic data by skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Descriptors Computed from Structure about 12-O-Tetradeca-2-Cis-4-Trans,6,8-Tetra-Enoylphorbol-13-Acetate(CAS NO.64604-09-7) is:
Canonical SMILES: CCCCCC=CC=CC=CC=CC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
Isomeric SMILES: CCCCC/C=C/C=C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C
InChI: InChI=1S/C36H48O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h11-20,24,27-28,30,32,37,41-42H,7-10,21-22H2,1-6H3/b12-11+,14-13+,16-15+,18-17+/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
InChIKey: YVKMFDXQIBCBHY-CEWIBAEJSA-N