Account (3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate
- Catalog No. :
- ACJTIC758
- CAS No. :
- 38395-02-7
- Molecular Formula :
- C28H42O7
- Molecular Weight :
- 490.64
IUPAC Name:(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate
![(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate |
|---|---|
| IUPAC Name | (3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate |
| MDL No. | MFCD09752778 |
| Molecular Formula | C28H42O7 |
| Molecular Weight | 490.64 |
| SMILES | CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O |
| InChI Key | VWLXIXALPNYWFH-UXGQNDOZSA-N |
| Synonym | CauldatinPregn-5-en-20-one,12-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-3,8,14,17-tetrahydroxy-,(3β,12β,14β,17α)- |
| CAS No. | 38395-02-7 |
| PubChem CID | 72948694 |
Synthetic Route by SureRoute
2. ACJTIC758 Molecular Building Block Synthetic Route
Qingyangshengenin B
Otophylloside B 4'''-O-beta-D-oleandropyranoside
(3S,8S,9R,10R,12R,13S,14R,17S)-17-Acetyl-8,14,17-trihydroxy-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,4R,5R,6R)-5-(((2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate