Bryostatin 15
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Basic information
- CAS
136448-58-3- Standard SMILES
CCC(O)/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3- InChIKey
FHGLMEYTRPWSLO-YMHKSPTMSA-N- Molecular formula
- C47H68O18
- Average molar mass
- 921 g/mol
- Monoisotopic mass
- 920.44056532
Overview
Bryostatin 15 has been reported in Bugula neritina with data available.
Names & identifiers
- Preferred name
- Bryostatin 15
- IUPAC
- [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-6-hydroxyocta-2,4-dienoate
- English name
- 2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15
- Molecular formula
- C47H68O18
- Molecular weight
- 921.03
Names & synonyms
Bryostatin 15((1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-((1R)-1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl) (2E,4E)-6-hydroxyocta-2,4-dienoate[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-6-hydroxyocta-2,4-dienoateRefChem:121773SCHEMBL29373859FHGLMEYTRPWSLO-YMHKSPTMSA-N2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,152,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl ester, (2E,4E)-
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 260 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 13
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,860
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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