InChI=1/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9-,10+,11+,15?,17?,18+,19-,20?/m1/s1

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Inherent Properties, Identifiers and References

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ChemSpider ID:	21169543
Empirical Formula:	C₂₀H₂₄O₁₀
Molecular Weight:	424.3986
Nominal Mass:	424 Da
Average Mass:	424.3986 Da
Monoisotopic Mass:	424.136947 Da

Quick Links: Permalink Similar Isomers

Systematic Name:

SMILES:

CC(C)(C)[C@@H]2C[C@H]3OC(=O)C65OC1OC(=O)[C@H](O)C12[C@@]36[C@H](O)[C@@H]4OC(=O)[C@@H](C)[C@@]45O

InChI:

InChI=1/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9-,10+,11+,15?,17?,18+,19-,20?/m1/s1

InChIKey:

SQOJOAFXDQDRGF-BGSSZHNMBP

Details...

Associated Data Sources and Commercial Suppliers

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Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Ginkgolide B Ginkgo leaves

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(Details...)

Predicted Properties

LogP:	ACD/LogP: 0.52	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	0.52	ACD/LogD (pH 7.4):	0.52
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	10	#H bond donors:	3
#Freely Rotating Bonds:	4	Polar Surface Area:	148.82 Å²
Index of Refraction:	1.65	Molar Refractivity:	94.2 cm³
Molar Volume:	258 cm³	Polarizability:	37.34 10^-24cm³
Surface Tension:	79 dyne/cm	Density:	1.64 g/cm³
Flash Point:	274.3 °C	Enthalpy of Vaporization:	126.65 kJ/mol
Boiling Point:	762.4 °C at 760 mmHg	Vapour Pressure:	7.81E-27 mmHg at 25°C

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