DTXSID70963592

[(6S,9S,10S,12R,13S,14S,16R,19S,22S,23S,25R)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-methylbutanoate

CAS: 465-77-0

Molecular Formula	`C34H53NO10`
Molecular Weight	635.8 g/mol
LogP	1.5
Topological Polar Surface Area	166.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	635.36694
Heavy Atoms	45
Complexity	1250.0

Chemical Identifiers

CAS Number	465-77-0
SMILES	`CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(CC6C7(C5(C4)OC6(C(CC7)OC(=O)C)O)C)O)O)O`
InChIKey	`OPCXCFMPHIBOMS-JAYPKBCLSA-N`

📖 Product Overview

DTXSID70963592 (CAS: 465-77-0) is a chemical compound with molecular formula C34H53NO10 and molecular weight 635.8 g/mol. Its IUPAC systematic name is [(6S,9S,10S,12R,13S,14S,16R,19S,22S,23S,25R)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-methylbutanoate. LogP 1.5 Topological Polar Surface Area 166.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 11 Rotatable Bonds 6 Exact Mass 635.36694 Heavy Atoms 45 Complexity 1250.0 InChI Key: OPCXCFMPHIBOMS-JAYPKBCLSA-N. SMILES: CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(CC6C7(C5(C4)OC6(C(CC7)OC(=O)C)O)C)O)O)O.

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