Cas no 1086338-86-4 (crassumolide A)
crassumolide A structure
Product Name:crassumolide A
CAS No:1086338-86-4
MF:C20H28O3
MW:316.434526443481
CID:2017043
PubChem ID:25156430
Update Time:2025-04-21
crassumolide A Chemical and Physical Properties
Names and Identifiers
-
- crassumolide A
- Lobohedleolide methyl ester
- (3aR,5E,9E,12S,13E,15aS)-12-hydroxy-6,10,14-trimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca(b)furan-2(3H)-one
- (3aR,5E,9E,12S,13E,15aS)-12-hydroxy-6,10,14-trimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2(3H)-one
- (3aR,5E,9E,12S,13E,15aS)-12-hydroxy-6,10,14-trimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one
- (3aR,5E,9E,12S,13E,15aS)-12-hydroxy-6,10,14-trimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca(b)furan-2-one
- Q27134152
- CHEMBL577584
- CHEBI:65670
- 1086338-86-4
-
- Inchi： 1S/C20H28O3/c1-13-6-5-7-14(2)10-17(21)11-15(3)12-19-18(9-8-13)16(4)20(22)23-19/h7-8,11,17-19,21H,4-6,9-10,12H2,1-3H3
- InChI Key： BIDNFRVXQJTBCI-UHFFFAOYSA-N
- SMILES： CC1CCC=C(C)CC(O)C=C(C)CC2OC(C(C2CC=1)=C)=O
Computed Properties
- Exact Mass: 316.20384475Da
- Monoisotopic Mass: 316.20384475Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 565
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.256
- Topological Polar Surface Area: 46.5?2
crassumolide A Related Literature
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1. 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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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