Account (3S,5R,8R,9R,10R,13R,14R,17S)-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
- Catalog No. :
- ACWJHF640
- CAS No. :
- 171438-55-4
- Molecular Formula :
- C39H58O5
- Molecular Weight :
- 606.89
IUPAC Name:(3S,5R,8R,9R,10R,13R,14R,17S)-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
![(3S,5R,8R,9R,10R,13R,14R,17S)-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,5R,8R,9R,10R,13R,14R,17S)-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate |
|---|---|
| IUPAC Name | (3S,5R,8R,9R,10R,13R,14R,17S)-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate |
| MDL No. | MFCD28100615 |
| Molecular Formula | C39H58O5 |
| Molecular Weight | 606.89 |
| SMILES | CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/C4=CC(O)=C(O)C=C4)C(C)(C)[C@@H]3CC[C@]12C |
| InChI Key | YVMAYTYEFBTXFR-MYGOKKNYSA-N |
| Synonym | DaMMarenediol II 3-O-caffeate;(3beta)-Dammar-24-ene-3,20-diol 3-[3-(3,4-dihydroxyphenyl)-2-propenoate];dammarendiol II 3-O-caffeate;Dammar-24-ene-3,20-diol, 3-[3-(3,4-dihydroxyphenyl)-2-propenoate], (3β)- |
| CAS No. | 171438-55-4 |
Synthetic Route by SureRoute
2. ACWJHF640 Molecular Building Block Synthetic Route
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
(2aR,3R,5aS,5bS,7aR,9S,11aR,12aS)-2a,5a,8,8-tetramethyl-3-((R)-6-methylhept-5-en-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl 3-(4-hydroxy-3-methoxyphenyl)acrylate
2a,5a,8,8-tetramethyl-3-(6-methylhept-5-en-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate