Dermostatin B

(16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-butan-2-yl]-16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-1-oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one

Also Known As: Dermostatin B|Dermostatin A, 35-de(1-methylethyl)-35-(1-methylpropyl)-|(16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-36-[(2S)-butan-2-yl]-16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-1-oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one|36-(Butan-2-yl)-16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-1-oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one|Oxacyclohexatriaconta-3,5,7,9,11,13,33-heptaen-2-one,16,18,20,22,24,26,28,30,32-nonahydroxy-17,35-dimethyl-36-[(1S)-1-methylpropyl]-,(3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,33E,35S,36S)-

Molecular Formula	C41H66O11
Molecular Weight	734.4605 g/mol
LogP	5.3
Topological Polar Surface Area	208.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	11
Rotatable Bonds	2
Exact Mass	734.4605
Monoisotopic Mass	734.4605
Heavy Atoms	52
Complexity	1180.0

Chemical Identifiers

CAS Number	51141-40-3
SMILES	CC[C@H](C)[C@H]1[C@H](C=C[C@@H](C[C@@H](C[C@@H](C[C@H](C[C@@H](C[C@H](C[C@H](C[C@H]([C@H]([C@H](CC=CC=CC=CC=CC=CC=CC(=O)O1)O)C)O)O)O)O)O)O)O)O)C
InChIKey	VRTOYGUQNUQDJB-DJPQEBQDSA-N