Basic information
- CAS
84906-73-0- Standard SMILES
CO[C@H]1\C=C/C=C\C=C/C[C@H](O)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1- InChIKey
WXMPIECSLUKADI-LKTORTQISA-N- Molecular formula
- C26H35NO6
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.24643784
Overview
from Streptomyces rishiriensis T-23; structure given in first source
Names & identifiers
- Preferred name
- Mycotrienol II
- IUPAC
- (5R,6Z,8Z,10Z,13S,14S,15R,16Z)-13,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-3-one
- English name
- Ansatrienol A, 20,23-didehydro-20,23-dideoxo-20,23-dihydroxy-
- Molecular formula
- C26H35NO6
- Molecular weight
- 457.564
Names & synonyms
Mycotrienol II84906-73-0Ansatrienol A, 20,23-didehydro-20,23-dideoxo-20,23-dihydroxy-RefChem:160340BRN 433969120,23-Didehydro-20,23-dideoxo-20,23-dihydroxyansatrienol ASCHEMBL29884976(5R,6Z,8Z,10Z,13S,14S,15R,16Z)-13,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-3-one
Database identifiers
- CAS
84906-73-0- PubChem CID
- 6439005
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 730
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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