Cas no 630101-94-9 (Oxacyclododec-9-en-2-one,8-(acetyloxy)-4-(2-ethoxyethoxy)-12-[(1E,3E)-5-(2-ethoxyethoxy)-6-[3-[2-(2-ethoxyethoxy)-1-methylbutyl]oxiranyl]-1,5-dimethyl-1,3-hexadienyl]-7-hydroxy-7,11-dimethyl-, (9E)-)
![Oxacyclododec-9-en-2-one,8-(acetyloxy)-4-(2-ethoxyethoxy)-12-[(1E,3E)-5-(2-ethoxyethoxy)-6-[3-[2-(2-ethoxyethoxy)-1-methylbutyl]oxiranyl]-1,5-dimethyl-1,3-hexadienyl]-7-hydroxy-7,11-dimethyl-, (9E)- structure](https://ossimg.kuujia.com/scimg/630500/630101-94-9x500.png)
630101-94-9 structure
Product Name:Oxacyclododec-9-en-2-one,8-(acetyloxy)-4-(2-ethoxyethoxy)-12-[(1E,3E)-5-(2-ethoxyethoxy)-6-[3-[2-(2-ethoxyethoxy)-1-methylbutyl]oxiranyl]-1,5-dimethyl-1,3-hexadienyl]-7-hydroxy-7,11-dimethyl-, (9E)-
CAS No:630101-94-9
MF:C42H72O12
MW:769.01389503479
CID:1648904
Update Time:2024-09-12
Oxacyclododec-9-en-2-one,8-(acetyloxy)-4-(2-ethoxyethoxy)-12-[(1E,3E)-5-(2-ethoxyethoxy)-6-[3-[2-(2-ethoxyethoxy)-1-methylbutyl]oxiranyl]-1,5-dimethyl-1,3-hexadienyl]-7-hydroxy-7,11-dimethyl-, (9E)- Chemical and Physical Properties
Names and Identifiers
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- Oxacyclododec-9-en-2-one,8-(acetyloxy)-4-(2-ethoxyethoxy)-12-[(1E,3E)-5-(2-ethoxyethoxy)-6-[3-[2-(2-ethoxyethoxy)-1-methylbutyl]oxiranyl]-1,5-dimethyl-1,3-hexadienyl]-7-hydroxy-7,11-dimethyl-, (9E)-
- Oxacyclododec-9-en-2-one, 8-(acetyloxy)-4-(2-ethoxyethoxy)-12-[(1E,3E)-5-(2-ethoxyethoxy)-6-[3-[2-(2-ethoxyethoxy)-1-methylbutyl]-2-oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-7-hydroxy-7,11-dimethyl-, (9E)-
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- Inchi： 1S/C42H72O12/c1-11-35(50-26-23-47-13-3)32(7)40-36(53-40)29-41(9,51-27-24-48-14-4)20-15-16-30(5)39-31(6)17-18-37(52-33(8)43)42(10,45)21-19-34(28-38(44)54-39)49-25-22-46-12-2/h15-18,20,31-32,34-37,39-40,45H,11-14,19,21-29H2,1-10H3/b18-17+,20-15+,30-16+
- InChI Key： QBWPPQMEYIASEB-ZCGQOKCVSA-N
- SMILES： O1C(/C(/C)=C/C=C/C(OCCOCC)(C)CC2C(C(C)C(OCCOCC)CC)O2)C(C)C=CC(OC(C)=O)C(O)(C)CCC(OCCOCC)CC1=O |t:33|
Computed Properties
- Exact Mass: 768.50256
Experimental Properties
- Density: 1.09±0.1 g/cm3(Predicted)
- Boiling Point: 778.6±60.0 °C(Predicted)
- PSA: 140.74
- pka: 13.95±0.70(Predicted)
Oxacyclododec-9-en-2-one,8-(acetyloxy)-4-(2-ethoxyethoxy)-12-[(1E,3E)-5-(2-ethoxyethoxy)-6-[3-[2-(2-ethoxyethoxy)-1-methylbutyl]oxiranyl]-1,5-dimethyl-1,3-hexadienyl]-7-hydroxy-7,11-dimethyl-, (9E)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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