DTXSID10960661

[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate

CAS: 4026-97-5

Molecular Formula	`C28H36O7`
Molecular Weight	484.6 g/mol
LogP	3.9
Topological Polar Surface Area	91.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	484.2461
Heavy Atoms	35
Complexity	1030.0

Chemical Identifiers

CAS Number	4026-97-5
SMILES	`CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)C(C4C6=COC(=O)C=C6)OC(=O)C)C)C`
InChIKey	`DXSNTGMCQRLLQF-GLFSEUORSA-N`

📖 Product Overview

DTXSID10960661 (CAS: 4026-97-5) is a chemical compound with molecular formula C28H36O7 and molecular weight 484.6 g/mol. Its IUPAC systematic name is [(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate. LogP 3.9 Topological Polar Surface Area 91.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 484.2461 Heavy Atoms 35 Complexity 1030.0 InChI Key: DXSNTGMCQRLLQF-GLFSEUORSA-N. SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)C(C4C6=COC(=O)C=C6)OC(=O)C)C)C.

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