Cas no 126737-35-7 (A'-Neogammaceran-27-oicacid, 22-hydroxy- (9CI))
126737-35-7 structure
Product Name:A'-Neogammaceran-27-oicacid, 22-hydroxy- (9CI)
CAS No:126737-35-7
MF:C30H50O3
MW:458.716209888458
CID:186917
Update Time:2024-03-01
A'-Neogammaceran-27-oicacid, 22-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
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- A'-Neogammaceran-27-oicacid, 22-hydroxy- (9CI)
- (+)-Phlebic acid C
- 5aH-Cyclopenta[a]chrysene,A'-neogammaceran-27-oic acid deriv.
- Phlebic acid C
- A'-Neogammaceran-27-oic acid, 22-hydroxy- (9CI)
-
- Inchi： 1S/C30H50O3/c1-25(2)14-8-15-28(6)21(25)13-17-29(7)22(28)9-10-23-27(5)16-11-19(26(3,4)33)20(27)12-18-30(23,29)24(31)32/h19-23,33H,8-18H2,1-7H3,(H,31,32)
- InChI Key： FSWXIHBULWYZOS-UHFFFAOYSA-N
- SMILES： CC(C1C2CCC3(C4(C(C5(C(CC4)C(C)(C)CCC5)C)CCC3C2(C)CC1)C)C(=O)O)(O)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.058±0.06 g/cm3(Predicted)
- Melting Point: 265-271 °C
- Boiling Point: 547.1±23.0 °C(Predicted)
- PSA: 52.54
- pka: 4.72±0.70(Predicted)
A'-Neogammaceran-27-oicacid, 22-hydroxy- (9CI) Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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