Cas no 126005-66-1 (Kaur-16-en-15-one,12,14,18-trihydroxy-, (4b,12a,14R)- (9CI))
126005-66-1 structure
Product Name:Kaur-16-en-15-one,12,14,18-trihydroxy-, (4b,12a,14R)- (9CI)
CAS No:126005-66-1
MF:C20H30O4
MW:334.449806690216
CID:225330
Update Time:2024-01-26
Kaur-16-en-15-one,12,14,18-trihydroxy-, (4b,12a,14R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Kaur-16-en-15-one,12,14,18-trihydroxy-, (4b,12a,14R)- (9CI)
- (-)-Rabdokunmin B
- 1H-2,10a-Ethanophenanthrene,kaur-16-en-15-one deriv.
- Rabdokunmin B
- Kaur-16-en-15-one, 12,14,18-trihydroxy-, (4β,12α,14R)-
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- Inchi： 1S/C20H30O4/c1-11-15-12(22)9-14-19(3)7-4-6-18(2,10-21)13(19)5-8-20(14,16(11)23)17(15)24/h12-15,17,21-22,24H,1,4-10H2,2-3H3/t12-,13+,14-,15+,17+,18+,19+,20+/m0/s1
- InChI Key： QOCQIGXDJNSEGM-DTMCMCHMSA-N
- SMILES： C=C1[C@@H]2[C@@H](O)C[C@]3([C@@]4(C)[C@@](CC[C@]3([C@@H]2O)C1=O)([H])[C@@](C)(CO)CCC4)[H]
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.23±0.1 g/cm3(Predicted)
- Boiling Point: 522.1±50.0 °C(Predicted)
- PSA: 52.54
- pka: 13.09±0.70(Predicted)
Kaur-16-en-15-one,12,14,18-trihydroxy-, (4b,12a,14R)- (9CI) Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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