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tetracyclo[15.4.0.0³,?.0¹?,¹?]henicosa-1(17),3,5,7,10(15),11,13,18,20-nonaene-5,6,12,13,19,20-hexol

tetracyclo[15.4.0.0³,?.0¹?,¹?]henicosa-1(17),3,5,7,10(15),11,13,18,20-nonaene-5,6,12,13,19,20-hexol

CAS: 1506-76-9

Formula: C21H18O6

SMILES: OC1=CC2=C(CC3=C(CC4=CC(O)=C(O)C=C4C2)C=C(O)C(O)=C3)C=C1O

IUPAC: tetracyclo[15.4.0.0³,?.0¹?,¹?]henicosa-1(17),3,5,7,10(15),11,13,18,20-nonaene-5,6,12,13,19,20-hexol

InChI: InChI=1S/C21H18O6/c22-16-4-10-1-11-5-17(23)19(25)7-13(11)3-15-9-21(27)20(26)8-14(15)2-12(10)6-18(16)24/h4-9,22-27H,1-3H2

Composition: C (68.85%), H (4.95%), O (26.20%)

Molar Mass: 366.369

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 366.1103383
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 6
InChIKey OOBDZXQTZWOBBQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 101.1
Topological Polar Surface Area 121.38
Polarizability 37.72
Ring Count 4
Rotatable Bond Count 0

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