Npc177518
Basic information
- CAS
15291-75-5- Standard SMILES
CC1C(=O)OC2CC34C5CC(C(C)(C)C)C36C(OC(=O)C6O)OC4(C(=O)O5)C21O- InChIKey
FPUXKXIZEIDQKW-UHFFFAOYSA-N- Molecular formula
- C20H24O9
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.14203234
Overview
9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl- is a diterpene lactone.
Names & identifiers
- Preferred name
- Npc177518
- IUPAC
- 8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
- English name
- Ginkgolide A
- Molecular formula
- C20H24O9
- Molecular weight
- 408.4
Names & synonyms
RefChem:1092790Npc177518Ginkgolide A from Ginkgo biloba leaves(1S,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-Gink;lide ACHEMBL1408113SCHEMBL14029426CHEBI:181554NSC603665s2026AKOS024463027
Show more names
lide ABN 5202BN-52020AGinkgolidGINKGOLIDE APRIMULIC ACID 1GINKGOBILOBAP.E.GINKGOLIDE A(SH)Ginkgolide A (ZCI)1,7-DIDEOXYGINKGOLIDE C
FG10335NSC-603665NCGC00017329-02NCGC00142512-01LS-14792ST057173DB-043164L000778
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 893
Experimental & physicochemical properties
Melting Point280 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 280 °C · 280°C (dec.)
- Boiling point
- 710.1 · 710.1±60.0 °C(Predicted)
- alpha
- 24 · D24 -53.4° (c = 1 in ethanol)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- RTECS
- 9943000 · KC9943000
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Soluble in DMSO
- pka
- 11.45 · 11.45±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- λmax
- 219 nm · 219nm(EtOH)(lit.)
- InChIKey
- FPUXKXIZEIDQKW-VKMVSBOZSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 3
- hs_code
- 29322090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesFamily of bioactive terpenes treating cardiovascular and cerebrovascular diseases. Specific platelet activating factor (PAF) antagonists
Usesantibacterial
UsesPlatelet-Activating Factor (PAF) antagonist
Additional notes
DefinitionChEBI: 9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl- is a diterpene lactone.
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