DTXSID60860480

[4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

CAS: 379688-61-6

Molecular Formula	`C47H51NO14`
Molecular Weight	853.9 g/mol
LogP	2.5
Topological Polar Surface Area	221.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	14
Exact Mass	853.33093
Heavy Atoms	62
Complexity	1790.0

Chemical Identifiers

CAS Number	379688-61-6
SMILES	`CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C`
InChIKey	`RCINICONZNJXQF-UHFFFAOYSA-N`

📖 Product Overview

DTXSID60860480 (CAS: 379688-61-6) is a chemical compound with molecular formula C47H51NO14 and molecular weight 853.9 g/mol. Its IUPAC systematic name is [4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. LogP 2.5 Topological Polar Surface Area 221.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 14 Rotatable Bonds 14 Exact Mass 853.33093 Heavy Atoms 62 Complexity 1790.0 InChI Key: RCINICONZNJXQF-UHFFFAOYSA-N. SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.

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