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2,4,14,17-tetrahydroxy-7,7,12-trimethylpentacyclo[13.3.1.0?,¹?.0?,¹?.0¹¹,¹?]nonadeca-1,3,5(18),8,11,13,15-heptaene-6,10,19-trione

2,4,14,17-tetrahydroxy-7,7,12-trimethylpentacyclo[13.3.1.0?,¹?.0?,¹?.0¹¹,¹?]nonadeca-1,3,5(18),8,11,13,15-heptaene-6,10,19-trione

CAS: 29706-96-5

Formula: C22H16O7

SMILES: CC1=C2C(=O)C=C3C(C)(C)C(=O)C4=C5C(=C(O)C=C4O)C(=O)C(C(O)=C1)=C2C35O

IUPAC: 2,4,14,17-tetrahydroxy-7,7,12-trimethylpentacyclo[13.3.1.0?,¹?.0?,¹?.0¹¹,¹?]nonadeca-1,3,5(18),8,11,13,15-heptaene-6,10,19-trione

InChI: InChI=1/C22H16O7/c1-7-4-8(23)14-17-13(7)11(26)6-12-21(2,3)20(28)16-10(25)5-9(24)15(19(14)27)18(16)22(12,17)29/h4-6,23-25,29H,1-3H3

Composition: C (67.35%), H (4.11%), O (28.54%)

Molar Mass: 392.363

Atom Count: 45

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 392.089602855
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 4
InChIKey FRXZTKQCZPGFDX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.37
Topological Polar Surface Area 132.13
Polarizability 38.64
Ring Count 5
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 29706-96-5 $251.85-$944.15$251.85$944.15
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