Cas no 952585-38-5 (eujavanicol A)
eujavanicol A structure
Product Name:eujavanicol A
CAS No:952585-38-5
MF:C19H32O4
MW:324.454986572266
CID:2035519
PubChem ID:23643941
Update Time:2025-04-21
eujavanicol A Chemical and Physical Properties
Names and Identifiers
-
- eujavanicol A
- DTXSID701043682
- CHEBI:217770
- 952585-38-5
- 1-[(1S,2S,4aR,5S,6R,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxypropan-1-one
- CHEMBL250242
- 1-((1S,2S,4aR,5S,6R,8R,8aS)-2-((2R)-butan-2-yl)-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-hydroxypropan-1-one
-
- Inchi： 1S/C19H32O4/c1-5-11(2)14-7-6-13-17(12(3)10-15(21)18(13)23)19(14,4)16(22)8-9-20/h6-7,11-15,17-18,20-21,23H,5,8-10H2,1-4H3/t11-,12-,13-,14-,15-,17+,18+,19-/m1/s1
- InChI Key： KOPHBZXWJSZGMB-HAWFMJENSA-N
- SMILES： O[C@@H]1[C@@H](C[C@@H](C)[C@H]2[C@H]1C=C[C@H]([C@H](C)CC)[C@@]2(C(CCO)=O)C)O
Computed Properties
- Exact Mass: 324.23005950g/mol
- Monoisotopic Mass: 324.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 460
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 77.8?2
eujavanicol A Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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