Account Cucurbitacin A 2-O-β-D-glucopyranoside
- Catalog No. :
- ACFIXZ258
- CAS No. :
- 1135141-76-2
- Molecular Formula :
- C38H56O14
- Molecular Weight :
- 736.85
IUPAC Name:(R,E)-6-hydroxy-6-((2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl acetate
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Product Information
| Product Name | Cucurbitacin A 2-O-β-D-glucopyranoside |
|---|---|
| IUPAC Name | (R,E)-6-hydroxy-6-((2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl acetate |
| MDL No. | MFCD17171361 |
| Molecular Formula | C38H56O14 |
| Molecular Weight | 736.85 |
| SMILES | C(O)[C@]12[C@]([C@@]3(C)[C@](C)(CC1=O)[C@@]([C@@](C(/C=C/C(OC(C)=O)(C)C)=O)(C)O)([C@H](O)C3)[H])(CC=C4[C@]2(C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[H])[H] |
| InChI Key | BTKXYYIQKCDSPF-XNCXWTMSSA-N |
| Synonym | Cucurbitacin A 2-O-β-D-glucopyranoside;19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-9-(hydroxymethyl)-, (2β,9β,10α,16α,23E)-;cucurbitacinA2-O-beta-D-glucopyranoside |
| CAS No. | 1135141-76-2 |
Synthetic Route by SureRoute
2. ACFIXZ258 Molecular Building Block Synthetic Route
(R,E)-6-hydroxy-6-((2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl acetate
Cucurbitacin IIa 2-O-glucoside
Picfeltarraenin x