Thyrsenol A
Basic information
- CAS
188826-89-3- Standard SMILES
CC(C)(O)[C@H]1CC[C@](C)([C@@H](O)CC[C@@](O)(CO)C2=CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1- InChIKey
BTRUPJNJODXUNZ-JNQDQRPJSA-N- Molecular formula
- C30H51BrO8
- Average molar mass
- 619.6 g/mol
- Monoisotopic mass
- 618.27673
Overview
Thyrsenol A has been reported in Laurencia viridis with data available.
Names & identifiers
- Preferred name
- Thyrsenol A
- IUPAC
- (2R,5S)-2-[(4aR,6R,8aS)-6-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-b]pyran-2-yl]-5-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,2,5-triol
Names & synonyms
THYRSENOL ACHEMBL282025DTXSID401098088188826-89-3(2R,5S)-2-[(4aR,6R,8aS)-6-[(2S,5R)-5-Bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]-4,4a,6,7,8,8a-hexahydro-8a-methylpyrano[3,2-b]pyran-2-yl]-5-[(2R,5R)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1,2,5-pentanetriol
Database identifiers
- CAS
188826-89-3- PubChem CID
- 10009012
- DTXSID
DTXSID401098088- ChEMBL
CHEMBL282025- Nikkaji
- J827.180A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 925
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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