Cas no 37558-18-2 (Phorbol 12,13-dioctanoate)
Phorbol 12,13-dioctanoate structure
Product Name:Phorbol 12,13-dioctanoate
CAS No:37558-18-2
MF:C36H56O8
MW:616.825052261353
CID:323480
Update Time:2023-08-03
Phorbol 12,13-dioctanoate Chemical and Physical Properties
Names and Identifiers
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- Octanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester (9CI)
- Octanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester (9CI
- 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, octanoic acid deriv.
- Octanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester, [1aR-(1aa,1bb,4ab,7aa,7ba,8a,9b,9aa)]-
- Phorbol 12,13-dioctanoate
- Phorbol, 12,13-dioctanoate
- Octanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
-
- Inchi： 1S/C36H56O8/c1-7-9-11-13-15-17-28(38)43-32-24(4)35(42)26(20-25(22-37)21-34(41)27(35)19-23(3)31(34)40)30-33(5,6)36(30,32)44-29(39)18-16-14-12-10-8-2/h19-20,24,26-27,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,26+,27-,30-,32-,34-,35-,36-/m1/s1
- InChI Key： ICJPQGPENGQAOZ-MJINIDSISA-N
- SMILES： O(C(CCCCCCC)=O)[C@@]12[C@@H]([C@@H](C)[C@@]3([C@@H]4C=C(C)C([C@]4(CC(CO)=C[C@H]3[C@@H]1C2(C)C)O)=O)O)OC(CCCCCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 44
- Rotatable Bond Count: 17
- Complexity: 1150
- Topological Polar Surface Area: 130
Phorbol 12,13-dioctanoate Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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