Basic information
- CAS
21899-50-3- Standard SMILES
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C=C(C)C)CC1=C[C@H](C[C@]3(C)O[C@H]23)OC1=O- InChIKey
HSTUUCOYVIWGLJ-VZXXYCNRSA-N- Molecular formula
- C20H22O7
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13655304
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester
- IUPAC
- [(1S,3S,5R,6S,10R,11R)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate
Names & synonyms
NSC102817NSC 102817(methyl-methylene-dioxo-[?]yl) 3-methylbut-2-enoate2-Butenoic acid, 3-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester2-Butenoic acid, 3-methyl-, 1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro(2,3-f)oxireno(d)oxacycloundecin-8-yl ester, (1aR-(1aR*,3R*,8S*,8aR*,11aS*,11bR*))-
Database identifiers
- CAS
21899-50-3- PubChem CID
- 73485
- DTXSID
DTXSID301024931
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 803
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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