Cas no 21412-42-0 (methyl (1aS,1bR,2R,3R,4R,5R,5aR,6aR)-3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate)
![methyl (1aS,1bR,2R,3R,4R,5R,5aR,6aR)-3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate structure](https://ossimg.kuujia.com/scimg/21500/21412-42-0x500.png)
21412-42-0 structure
Product Name:methyl (1aS,1bR,2R,3R,4R,5R,5aR,6aR)-3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate
CAS No:21412-42-0
MF:C16H20O7
MW:324.325805664063
CID:1404843
PubChem ID:210604
Update Time:2025-04-20
methyl (1aS,1bR,2R,3R,4R,5R,5aR,6aR)-3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl (1aS,1bR,2R,3R,4R,5R,5aR,6aR)-3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate
- alpha-Picrotoxinin, methyl ester
- 4-19-00-03942 (Beilstein Handbook Reference)
- DTXSID30943976
- Methyl 3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate
- 21412-42-0
- BRN 0046142
- Methyl-alpha-picrotoxinate
-
- Inchi： 1S/C16H20O7/c1-6(2)8-9-12(18)22-11(10(8)17)14(3)15(9,20)5-7-16(14,23-7)13(19)21-4/h7-11,17,20H,1,5H2,2-4H3/t7-,8+,9+,10-,11+,14-,15-,16+/m1/s1
- InChI Key： FBDLPHODDMIQGI-IVFUWNIESA-N
- SMILES： O1[C@@H]2C[C@]3([C@@H]4C(=O)O[C@@H]([C@@H]([C@H]4C(=C)C)O)[C@@]3(C)[C@]12C(=O)OC)O
Computed Properties
- Exact Mass: 324.121
- Monoisotopic Mass: 324.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 644
- 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: 0.1
- Topological Polar Surface Area: 106?2
Experimental Properties
- Density: 1.502
- Boiling Point: 484°C at 760 mmHg
- Flash Point: 178.2°C
- Refractive Index: 1.616
methyl (1aS,1bR,2R,3R,4R,5R,5aR,6aR)-3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
21412-42-0 (methyl (1aS,1bR,2R,3R,4R,5R,5aR,6aR)-3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate) Related Products
- 2749-28-2(Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)-)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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