Cas no 2785-58-2 (6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid)
2785-58-2 structure
Product Name:6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CAS No:2785-58-2
MF:C40H54O6
MW:630.853172779083
CID:268194
Update Time:2024-02-29
6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- [3,3'-Biphenanthrene]-8,8'-dicarboxylicacid,4b,4'b,5,5',6,6',7,7',8,8',8a,8'a,9,9',10,10'-hexadecahydro-2,2'-dihydroxy-4b,4'b,8,8'-tetramethyl-1,1'-bis(1-methylethyl)-
- [3,3'-Biphenanthrene]-8,8'-dicarboxylicacid,4b,4'b,5,5',6,6',7,7',8,8',8a,8'a,9,9',10,10'-hexadecahydro-2,2'-dihydroxy-4b,4'b
- [12,12'-Bipodocarpa-8,11,13-triene]-16,16'-dioic acid,13,13'-dihydroxy-14,14'-diisopropyl- (8CI)
- Macrophyllicacid (7CI)
- Macrophyllic acid
- 6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydrox
- 6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
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- Inchi： 1S/C40H54O6/c1-21(2)31-23-11-13-29-37(5,15-9-17-39(29,7)35(43)44)27(23)19-25(33(31)41)26-20-28-24(32(22(3)4)34(26)42)12-14-30-38(28,6)16-10-18-40(30,8)36(45)46/h19-22,29-30,41-42H,9-18H2,1-8H3,(H,43,44)(H,45,46)
- InChI Key： ITNCNPITYLLMNG-UHFFFAOYSA-N
- SMILES： OC(C1(C)CCCC2(C)C3C=C(C(=C(C(C)C)C=3CCC21)O)C1C(=C(C(C)C)C2CCC3C(C(=O)O)(C)CCCC3(C)C=2C=1)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 46
- Rotatable Bond Count: 5
- Complexity: 1090
- Topological Polar Surface Area: 115
- XLogP3: 8.372
6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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