Compound C28H38O8

(1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

CAS: 54334-04-2

Molecular Formula	`C28H38O8`
Molecular Weight	502.6 g/mol
LogP	0.6
Topological Polar Surface Area	137.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	2
Exact Mass	502.25668
Heavy Atoms	36
Complexity	1130.0

Chemical Identifiers

CAS Number	54334-04-2
SMILES	`CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O)O)C`
InChIKey	`UPBUGICUKQIKTJ-KABTZXSUSA-N`

📖 Product Overview

Compound C28H38O8 (CAS: 54334-04-2) is a chemical compound with molecular formula C28H38O8 and molecular weight 502.6 g/mol. Its IUPAC systematic name is (1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one. LogP 0.6 Topological Polar Surface Area 137.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 2 Exact Mass 502.25668 Heavy Atoms 36 Complexity 1130.0 InChI Key: UPBUGICUKQIKTJ-KABTZXSUSA-N. SMILES: CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O)O)C.

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