BRN 4707045

(3S,5R,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol

CAS: 80433-82-5

Molecular Formula	`C18H14O3`
Molecular Weight	278.3 g/mol
LogP	2.3
Topological Polar Surface Area	53.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	278.0943
Heavy Atoms	21
Complexity	425.0

Chemical Identifiers

CAS Number	80433-82-5
SMILES	`C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C5C(O5)C(C4O)O`
InChIKey	`KPTYXJLOWLVCMU-XWTMOSNGSA-N`

📖 Product Overview

BRN 4707045 (CAS: 80433-82-5) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.3 g/mol. Its IUPAC systematic name is (3S,5R,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol. LogP 2.3 Topological Polar Surface Area 53.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 0 Exact Mass 278.0943 Heavy Atoms 21 Complexity 425.0 InChI Key: KPTYXJLOWLVCMU-XWTMOSNGSA-N. SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C5C(O5)C(C4O)O.

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