Cas no 41060-01-9 (Diplodiatoxin)
Diplodiatoxin structure
Product Name:Diplodiatoxin
CAS No:41060-01-9
MF:C18H28O4
MW:308.412526130676
CID:1997301
PubChem ID:12309246
Update Time:2025-04-21
Diplodiatoxin Chemical and Physical Properties
Names and Identifiers
-
- Diplodiatoxin
- (1S,2R,4aS)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-2-carboxylic acid
- 1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid, 9CI
- CHEBI:174949
- 1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
- 41060-01-9
- DTXSID70961417
-
- Inchi: 1S/C18H28O4/c1-10-7-11(2)15-13(8-10)9-12(3)16(17(21)22)18(15,4)14(20)5-6-19/h9-11,13,15-16,19H,5-8H2,1-4H3,(H,21,22)
- InChI Key: SFTQDPVLDKOILY-UHFFFAOYSA-N
- SMILES: O=C(CCO)C1(C)C(C(=O)O)C(C)=CC2CC(C)CC(C)C12
Computed Properties
- Exact Mass: 308.19875937g/mol
- Monoisotopic Mass: 308.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 495
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 74.6?2
Diplodiatoxin Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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