(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

Catalog No. :
ACCNRP987
CAS No. :
65247-27-0
Molecular Formula :
C38H56O13
Molecular Weight :
720.85

IUPAC Name:(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

(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 structure diagram
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Product Information

Product Name(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
IUPAC Name(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
MDL No.MFCD21363965
Molecular FormulaC38H56O13
Molecular Weight720.85
SMILESCC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChI KeyPQOVWWZVVIGRPP-BBANTJNRSA-N
Synonymarvenin I;(10α,23E)-25-(Acetyloxy)-2β-(β-D-glucopyranosyloxy)-16α,20-dihydroxy-9β-methyl-19-norlanosta-5,23-diene-3,11,22-trione;(10α,23E)-25-Acetoxy-2β-(β-D-glucopyranosyloxy)-16α,20-dihydroxy-9β-methyl-19-norlanosta-5,23-diene-3,11,22-trione;2-O-β-Glucopyranosylcucurbitacin B;Cucurbitacin B 2-glucoside;Cucurbitacin B 2-O-beta-D-glucoside;19-Norlanosta-5,23-diene-3,11,22-trione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-16,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)-;19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-9-methyl-, (2β,9β,10α,16α,23E)-
CAS No.65247-27-0

Synthetic Route by SureRoute

1. ACCNRP987 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCNRP987 route product structure diagram
    ACCNRP98765247-27-0
Inquiry

2. ACCNRP987 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCNRP987 route product structure diagram
    ACCNRP98765247-27-0
Inquiry

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