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Chemical structure of Buddlejasaponin IVb

GC35566

Buddlejasaponin IVb

Also known as (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Buddlejasaponin IVb (Compound 2), a triterpene saponin isolated from Clinopodium chinense (Benth

ChemicalCAS152580-79-5MW943.12FormulaC48H78O18
CAS number
152580-79-5
Molecular weight
943.12
Formula
C48H78O18
Solubility
DMSO ： 100 mg/mL (106·03 mM; Need ultrasonic)
InChIKey
CXSXBHMYYCPTHP-QZXFRBLOSA-N
Catalogue number
GC35566
Brand
GLPBIO
Computed properties PubChem CID 91758420 · XLogP 0.9 · TPSA 298 Ų · H-bond donors 12
XLogP
0.9
TPSA
298 Ų
H-bond donors
12
H-bond acceptors
18
Rotatable bonds
10
Heavy atoms
66

SMILES C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC5=C6CC(CC[C@@]6([C@H](C[C@]54C)O)CO)(C)C)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O

Computed descriptors from PubChem (CID 91758420), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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