(+,-)-3-alpha,4-beta-Dihydroxy-1-alpha,2-alpha-epoxy-1,2,3,4-tetrahydrodibenzo(a,i)pyrene

(3S,5R,6R,7S)-4-oxaheptacyclo[11.10.2.02,8.03,5.010,24.015,20.021,25]pentacosa-1(24),2(8),9,11,13,15,17,19,21(25),22-decaene-6,7-diol

CAS: 78919-12-7

Molecular Formula	`C24H16O3`
Molecular Weight	352.4 g/mol
LogP	3.8
Topological Polar Surface Area	53.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	352.10995
Heavy Atoms	27
Complexity	621.0

Chemical Identifiers

CAS Number	78919-12-7
SMILES	`C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=C(C7C(O7)C(C6O)O)C(=C54)C=C3`
InChIKey	`UBKAFKKDQRRBNO-UARRHKHWSA-N`

📖 Product Overview

(+,-)-3-alpha,4-beta-Dihydroxy-1-alpha,2-alpha-epoxy-1,2,3,4-tetrahydrodibenzo(a,i)pyrene (CAS: 78919-12-7) is a chemical compound with molecular formula C24H16O3 and molecular weight 352.4 g/mol. Its IUPAC systematic name is (3S,5R,6R,7S)-4-oxaheptacyclo[11.10.2.02,8.03,5.010,24.015,20.021,25]pentacosa-1(24),2(8),9,11,13,15,17,19,21(25),22-decaene-6,7-diol. LogP 3.8 Topological Polar Surface Area 53.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 0 Exact Mass 352.10995 Heavy Atoms 27 Complexity 621.0 InChI Key: UBKAFKKDQRRBNO-UARRHKHWSA-N. SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=C(C7C(O7)C(C6O)O)C(=C54)C=C3.

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