BRN 1613496

1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 5-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

CAS: 23509-22-0

Molecular Formula	`C33H46N2O6`
Molecular Weight	566.7 g/mol
LogP	2.5
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	566.3356
Heavy Atoms	41
Complexity	1190.0

Chemical Identifiers

CAS Number	23509-22-0
SMILES	`CCC1=C(C(=C(N1)C)C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C)C`
InChIKey	`MMEKKZYBEQHKCI-PULVHBKXSA-N`

📖 Product Overview

BRN 1613496 (CAS: 23509-22-0) is a chemical compound with molecular formula C33H46N2O6 and molecular weight 566.7 g/mol. Its IUPAC systematic name is 1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 5-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate. LogP 2.5 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 566.3356 Heavy Atoms 41 Complexity 1190.0 InChI Key: MMEKKZYBEQHKCI-PULVHBKXSA-N. SMILES: CCC1=C(C(=C(N1)C)C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C)C.

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