Cas no 38611-64-2 (3-Ketodehydrosulfurenic acid)
3-Ketodehydrosulfurenic acid structure
Product Name:3-Ketodehydrosulfurenic acid
CAS No:38611-64-2
MF:C31H46O4
MW:482.694550037384
CID:6768096
Update Time:2024-03-03
3-Ketodehydrosulfurenic acid Chemical and Physical Properties
Names and Identifiers
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- (Isolated and identified as methyl-3-ketodehydrosulfurenate)
- 3-Ketodehydrosulfurenic acid
-
- Inchi： 1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-24,26,33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31-/m1/s1
- InChI Key： OSACBIMFKXGCAD-HOSBDSGNSA-N
- SMILES： C1C[C@]2(C)C3C(=CC[C@H]2C(C)(C)C1=O)[C@@]1([C@@H](O)C[C@@H]([C@@]1(C)CC=3)[C@@H](CCC(C(C)C)=C)C(O)=O)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- XLogP3: 5.878
3-Ketodehydrosulfurenic acid Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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