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Andrographolide

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For Research Use Only | Not For Clinical Use
CATAPS5508587
CAS5508-58-7
Structure
MDL NumberMFCD07778082
Synonyms3-dehydroandrographolide or 19-dehydroandrographolide? p. 1388, (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone, 2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, [1R-[1α[E(S*)],4aβ,5α,6α,8aα]]-,2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-, Andrographolide, 5β,9βH,10α-Labda-8(20),12-dien-16-oic acid, 3α,14,15,18-tetrahydroxy-, γ-lactone (7CI), Andrographolid, Andrographis (6CI), Andrographiside aglycon
IUPAC Name(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
Molecular Weight350.45
Molecular FormulaC20H30O5
Canonical SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C\3/[C@H](O)COC3=O)C(=C)CC[C@H]12
InChIInChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
InChI KeyBOJKULTULYSRAS-OTESTREVSA-N
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass350.2093
API FamilyMatrix - API Family See respective official monograph(s)
FormatNeat
ShippingRoom Temperature
Size50MG
Storage Conditions2-8°C Fridge/Coldroom
SubcategoryEuropean Pharmacopoeia (Ph. Eur.)
TypeAPI
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