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Chemical structure of Shancigusin I

GC76408

Shancigusin I

Also known as [4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

Shancigusin I is a natural compound found in Cremastra appendiculata

ChemicalCAS1435488-35-9MW594.56FormulaC28H34O14
CAS number
1435488-35-9
Molecular weight
594.56
Formula
C28H34O14
Solubility
DMSO： 100 mg/mL (168·19 mM; ultrasonic and warming and heat to 60°C)
InChIKey
CYFVSRSBPGWWOF-YHUVOSSASA-N
Catalogue number
GC76408
Brand
GLPBIO
Computed properties PubChem CID 102582111 · XLogP -0.6 · TPSA 225 Ų · H-bond donors 8
XLogP
-0.6
TPSA
225 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
11
Heavy atoms
42

SMILES C1=CC(=CC=C1COC(=O)/C=C/C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 102582111), 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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