Account (3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
- Catalog No. :
- ACQVMV631
- CAS No. :
- 4651-46-1
- Molecular Formula :
- C31H50O2
- Molecular Weight :
- 454.74
IUPAC Name:(3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
![(3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
|---|---|
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| MDL No. | MFCD00200555 |
| Molecular Formula | C31H50O2 |
| Molecular Weight | 454.74 |
| SMILES | CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
| InChI Key | VQLULFBGTFJDEB-LSEHKVPYSA-N |
| Synonym | alpha-Spinasterol acetate;α-Spinasterol acetate;Stigmasta-7,22-dien-3-ol, 3-acetate, (3β,5α,22E)-;alpha-Spinsterhoodacetate;α-Spinasterolacetate |
| CAS No. | 4651-46-1 |
Synthetic Route by SureRoute
2. ACQVMV631 Molecular Building Block Synthetic Route
(3S,5S,9R,10S,13R,14R,17R)-17-((S)-1-(formyloxy)propan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
(3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-11-hydroxy-4,4,6a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-yl acetate
(3R,3AS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl acetate