Bryostatin 5

https://huagongshe.com/de/chemical/6512596

Identifikatoren & physikalische Daten

CAS No.	97850-04-9
Summenformel	C44H66O17
Durchschnittliche Molmasse	867 g/mol
Monoisotopische Masse	866,43000063 g/mol
SMILES	COC(=O)/C=C1/C[C@H]2C[C@]3(O)O[C@H](C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]4C/C(=C\C(=O)OC)[C@H](OC(C)=O)[C@@](O)(O4)C(C)(C)/C=C/[C@@H](C1)O2)C[C@H](OC(=O)CC(C)C)C3(C)C
InChIKey	JEHAMBABWZFXRB-AFTDOUJASA-N
PubChem CID	6512596
ChEMBL	CHEMBL499692

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	240
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	17
Frei drehbare Bindungen	11
Schwere Atome	61
Formalladung	0
Komplexität	1.700

Sicherheit & Vorschriften

Regulatorische Informationen	Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(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-25-yl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Regulatorische Informationen

Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(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-25-yl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.