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12-Deoxyphorbol 13-Angelate 20-Acetate
[CAS# 25090-72-6]

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Identification
Name 12-Deoxyphorbol 13-Angelate 20-Acetate
Synonyms 12-Deoxyphorbol-13-Tiglate-20-Acetate; 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-(Acetoxymethyl)-1,1,6,8-Alpha-Tetramethyl-4A-Beta,7B-Alpha,9A-Alpha-Trihydroxy-, 9A-(2-Methyl-2-Butenoate), (E)-
Molecular Structure CAS#: 25090-72-6, 12-Deoxyphorbol 13-Angelate 20-Acetate
Molecular Formula C27H36O7
Molecular Weight 472.58
CAS Registry Number 25090-72-6
SMILES [C@H]12[C@](OC(=O)C(=C/C)/C)(C1(C)C)C[C@H]([C@@]3(O)[C@H]2C=C(C[C@@]4(O)[C@H]3C=C(C4=O)C)COC(=O)C)C
InChI 1S/C27H36O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h8-10,16,19-21,31-32H,11-13H2,1-7H3/b14-8+/t16-,19+,20-,21-,25-,26+,27-/m1/s1
InChIKey ZZTJICHINNSOQL-LWYYLCCUSA-N
Properties
Density 1.255g/cm3 (Cal.)
Boiling point 588.295°C at 760 mmHg (Cal.)
Flash point 190.115°C (Cal.)
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