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(1R,3R,6R,8S,9R,10S,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,?.0?,¹¹.0¹³,¹?]nonadecane-5,15,18-trione

(1R,3R,6R,8S,9R,10S,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,?.0?,¹¹.0¹³,¹?]nonadecane-5,15,18-trione

CAS: 15291-76-6

Formula: C20H24O11

SMILES: C[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)C43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O

IUPAC: (1R,3R,6R,8S,9R,10S,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,?.0?,¹¹.0¹³,¹?]nonadecane-5,15,18-trione

InChI: InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6+,7+,8+,9+,10-,11+,15+,17?,18?,19+,20-/m1/s1

Composition: C (54.55%), H (5.49%), O (39.96%)

Molar Mass: 440.401

Atom Count: 55

Heavy Atom Count: 31

Properties
Properties
Common Names ginkgolide C
Aromatic Ring Count 0
Asymmetric Atom Count 12
Exact Mass 440.131861593
Formal Charge 0
FSP3 0.85
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey AMOGMTLMADGEOQ-AEXCBEIUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.67
Topological Polar Surface Area 169.05
Polarizability 39.11
Ring Count 6
Rotatable Bond Count 1

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