Account 3α,30-Diacetoxy-12α-hydroxy-23-oxoeupha-7,24-dien-21,16β-olid-28-oic acid 28-O-β-D-glucopyranosyl ester
- Catalog No. :
- ACREND802
- CAS No. :
- 215160-96-6
- Molecular Formula :
- C40H56O15
- Molecular Weight :
- 776.87
IUPAC Name:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2aR,3S,4R,6aR,6bR,8S,8aS,8bS,9R,11aS,12aS)-4-acetoxy-12a-(acetoxymethyl)-8-hydroxy-3,6a,8a-trimethyl-9-(4-methyl-2-oxopent-3-en-1-yl)-10-oxo-2a,3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a-hexadecahydro-2H-naphtho[2',1':4,5]indeno[2,1-b]furan-3-carboxylate
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Product Information
| Product Name | 3α,30-Diacetoxy-12α-hydroxy-23-oxoeupha-7,24-dien-21,16β-olid-28-oic acid 28-O-β-D-glucopyranosyl ester |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2aR,3S,4R,6aR,6bR,8S,8aS,8bS,9R,11aS,12aS)-4-acetoxy-12a-(acetoxymethyl)-8-hydroxy-3,6a,8a-trimethyl-9-(4-methyl-2-oxopent-3-en-1-yl)-10-oxo-2a,3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a-hexadecahydro-2H-naphtho[2',1':4,5]indeno[2,1-b]furan-3-carboxylate |
| Molecular Formula | C40H56O15 |
| Molecular Weight | 776.87 |
| SMILES | C(OC(C)=O)[C@@]12[C@](C)([C@]3([C@](C1)(OC(=O)[C@@H]3CC(C=C(C)C)=O)[H])[H])[C@@H](O)C[C@]4(C2=CC[C@@]5([C@]4(C)CC[C@@H](OC(C)=O)[C@]5(C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=O)C)[H])[H] |
| InChI Key | CNBPSPDNZJNBAZ-RWOCPONYSA-N |
| Synonym | 3α,30-Diacetyloxy-12α-hydroxy-23-oxoeupha-7,24-dien-21,16β-olid-28-oic acid 28-O-β-D-glucopyranosyl ester;3α,30-Diacetoxy-12α-hydroxy-23-oxoeupha-7,24-dien-21,16β-olid-28-oic acid 28-O-β-D-glucopyranosyl ester;Lanosta-7,24-diene-21,28-dioic acid, 3,30-bis(acetyloxy)-12,16-dihydroxy-23-oxo-, γ-lactone, 3-β-D-glucopyranosyl ester, (3α,4α,12α,13α,14β,16β,17α)- (9CI) |
| CAS No. | 215160-96-6 |
Synthetic Route by SureRoute
2. ACREND802 Molecular Building Block Synthetic Route
(2S,3R,4S,4AR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5S,6R)-4,5-diacetoxy-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid