Buddlejasaponin IV

HCID 153940CAS 139523-30-1

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Basic information

Standard SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey
IRJDRINEGANBIK-ARKKLDSOSA-N
Molecular formula
C48H78O18
Average molar mass
943.134 g/mol
Monoisotopic mass
942.51881566

Names & identifiers

Preferred name
Buddlejasaponin IV
IUPAC
16beta,23-Dihydroxy-18alpha-13,28-epoxyolean-11-en-3beta-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-6-deoxy-beta-D-galactopyranoside
English name
buddlejasaponin IV
Molecular formula
C48H78O18
Molecular weight
943.12

Names & synonyms

Saikosaponin 1buddlejasaponin IVBuddleoglucoside IV[(4R)-13,28-Epoxy-16β,23-dihydroxyolean-11-en-3β-yl]2-O,3-O-bis(β-D-glucopyranosyl)-6-deoxy-β-D-galactopyranoside[(4R)-16β,23-Dihydroxy-13,28-epoxyoleana-11-ene-3β-yl]6-deoxy-2-O,3-O-bis(β-D-glucopyranosyl)-β-D-galactopyranosideβ-D-Galactopyranoside, (3β,4α,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-6-deoxy-

Database identifiers

CAS
139523-30-1
PubChem CID
153940
DTXSID
DTXSID901315819
ChEMBL
CHEMBL510087
UNII
HZ7J643R5F
Nikkaji
J430.834D

Properties

Physicochemical properties

Melting point
288 · 288-290℃
Density
1.43 · 1.43±0.1 g/cm3 (20 ºC 760 Torr)
solubility
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form
powder
pka
12.886 · 12.886±0.70(predicted)
color
White

Chemistry & industry

Applications

UsesBuddlejasaponin IV (BS‐IV) exerts anti-inflammatory and cytotoxic effects against cancer cells[1].

Suppliers25 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都川研医工生物科技有限公司18280298385;18280298385 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]

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