Basic information
- CAS
49776-54-7- Standard SMILES
C=C1C(=O)OC2/C=C(CO)/C=C\C3OC3(C)CC(OC(=O)/C(=C/C)CO)C12- InChIKey
PJPPGFOTUNLSNL-RKVOYFOYSA-N- Molecular formula
- C20H24O7
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.1522031
Names & identifiers
- Preferred name
- Punctaliatrin
- IUPAC
- [(7Z,9Z)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradeca-7,9-dien-2-yl] (E)-2-(hydroxymethyl)but-2-enoate
Names & synonyms
NSC35405049776-54-7PUNCTALIATRINDTXSID70420453NSC-354050(2Z,4Z)-4-(Hydroxymethyl)-10a-methyl-8-methylidene-7-oxo-1a,5a,7,8,8a,9,10,10a-octahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl (2E)-2-(hydroxymethyl)but-2-enoate2-Butenoic acid, 1a,5a,7,8,8a,9,10,10a-octahydro-4-(hydroxymethyl)-10a-methyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, [1aR-[1aR*,2Z,4E,5aR*,8aR*,9R*(Z),10aR*]]-
Database identifiers
- CAS
49776-54-7- PubChem CID
- 5477756
- DTXSID
DTXSID70420453
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 747
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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