(3S,6R,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol

CAS: 64598-81-8

Molecular Formula	`C18H14O3`
Molecular Weight	278.3 g/mol
LogP	2.0
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	64598-81-8
SMILES	`C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C5C(O5)C(C4O)O`
InChIKey	`JNQSJMYLVFOQBK-HRBLRVMOSA-N`

📖 Product Overview

(3S,6R,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol (CAS: 64598-81-8) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.3 g/mol. Its IUPAC systematic name is (3S,6R,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol. LogP 2.0 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: JNQSJMYLVFOQBK-HRBLRVMOSA-N. SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C5C(O5)C(C4O)O.

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