Synaptolepis factor K1
Basic information
- CAS
66268-94-8- Standard SMILES
C=C(C)[C@]12C[C@@H](C)[C@@]34OC5(/C=C\CCCCCCCCCCCCC[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2- InChIKey
WMCDWPXXDIUVBI-VUJIPGEVSA-N- Molecular formula
- C36H54O8
- Average molar mass
- 614.8 g/mol
- Monoisotopic mass
- 614.38186868
Overview
Synaptolepis factor K1 is a diterpenoid.
Names & identifiers
- Preferred name
- Synaptolepis factor K1
- IUPAC
- (1R,4Z,19R,20S,22S,23S,24R,26S,27S,28R,29R,31R,32R)-22,23-dihydroxy-24-(hydroxymethyl)-20,31-dimethyl-29-prop-1-en-2-yl-2,25,33,34-tetraoxaheptacyclo[17.12.1.13,28.13,29.01,27.022,32.024,26]tetratriacont-4-en-21-one
Names & synonyms
Synaptolepis factor K1Synaptolepsis factor K166268-94-81,6:2,6-Diepoxy-6H-benz(7,8)oxireno(5,6)azuleno(8,1-bc)oxacycloeicosin-23(9H)-one, 1,2,3,4,10,11,12,13,14,15,16,17,18,19,20,21,21a,22,23a,23b,24,24a,25a,25b-tetracosahydro-23a,24-dihydroxy-24a-(hydroxymethyl)-4,22-dimethyl-2-(1-methylethenyl)-C09192CHEBI:9377(1R,4Z,19R,20S,22S,23S,24R,26S,27S,28R,29R,31R,32R)-22,23-dihydroxy-24-(hydroxymethyl)-20,31-dimethyl-29-prop-1-en-2-yl-2,25,33,34-tetraoxaheptacyclo[17.12.1.13,28.13,29.01,27.022,32.024,26]tetratriacont-4-en-21-oneQ27108368
Database identifiers
- CAS
66268-94-8- PubChem CID
- 5281397
- ChEBI
CHEBI:9377
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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