Cas no 117193-18-7 (9,19-Cycloergost-20-en-3-ol,4,14-dimethyl-, (3b,4a,5a,24R)- (9CI))
117193-18-7 structure
Product Name:9,19-Cycloergost-20-en-3-ol,4,14-dimethyl-, (3b,4a,5a,24R)- (9CI)
CAS No:117193-18-7
MF:C30H50O
MW:426.717409610748
CID:184443
Update Time:2024-03-01
9,19-Cycloergost-20-en-3-ol,4,14-dimethyl-, (3b,4a,5a,24R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 9,19-Cycloergost-20-en-3-ol,4,14-dimethyl-, (3b,4a,5a,24R)- (9CI)
- (+)-Cycloeuphordenol
- 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene,9,19-cycloergost-20-en-3-ol deriv.
- Cycloeuphordenol
- 9,19-Cycloergost-20-en-3-ol, 4,14-dimethyl-, (3β,4α,5α,24R)-
-
- Inchi： 1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19-20,22-26,31H,4,8-18H2,1-3,5-7H3/t20-,22+,23-,24+,25+,26+,27-,28+,29-,30?/m1/s1
- InChI Key： MDXMAOTXMIYWSS-CGZNCNFCSA-N
- SMILES： [C@@H]1(O)[C@@H](C)[C@@]2([H])[C@]3(CC43[C@]([H])([C@@]3(C)[C@@](CC4)(C)[C@@H](C(=C)CC[C@H](C(C)C)C)CC3)CC2)CC1
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.00±0.1 g/cm3(Predicted)
- Boiling Point: 509.2±19.0 °C(Predicted)
- PSA: 52.54
- pka: 15.11±0.70(Predicted)
9,19-Cycloergost-20-en-3-ol,4,14-dimethyl-, (3b,4a,5a,24R)- (9CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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