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Chemical structure of CU06-1004

GC71363

CU06-1004

Also known as methyl (E)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-[[(2R,3S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate

CU06-1004 (Sac-1004) is an orally active endothelial dysfunction blocker

ChemicalCAS1296734-08-1MW626.82FormulaC37H54O8
CAS number
1296734-08-1
Molecular weight
626.82
Formula
C37H54O8
Solubility
DMSO ： 100 mg/mL (159·54 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
HYMSACOZWCUWKA-QGRUFDIBSA-N
Catalogue number
GC71363
Brand
GLPBIO
Computed properties PubChem CID 154695939 · XLogP 7 · TPSA 97.4 Ų · H-bond donors 0
XLogP
7
TPSA
97.4 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
45

SMILES C/C(=C\CCCC(=O)OC)/[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5C=C[C@@H]([C@H](O5)COC(=O)C)OC(=O)C)C)C

Computed descriptors from PubChem (CID 154695939), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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