Account Phyperunolide E
- Catalog No. :
- ACFKQH392
- CAS No. :
- 1198400-52-0
- Molecular Formula :
- C28H40O9
- Molecular Weight :
- 520.62
IUPAC Name:(3S,4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-3,4,6b,9-tetrahydroxy-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one
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Product Information
| Product Name | Phyperunolide E |
|---|---|
| IUPAC Name | (3S,4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-3,4,6b,9-tetrahydroxy-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one |
| Molecular Formula | C28H40O9 |
| Molecular Weight | 520.62 |
| SMILES | C[C@]12[C@@]3([C@H]([C@H](CC2=O)O)O)[C@](C[C@]4([H])[C@]1([H])CC[C@]5([C@]4(CC[C@@]5(O)[C@@](O)([C@@]6([H])CC(C)=C(C(O6)=O)C)C)O)C)([H])O3 |
| InChI Key | AKXPZRHYDOQYLZ-WQYKXGBASA-N |
| Synonym | Phyperunolide E;Ergost-24-en-26-oic acid, 5,6-epoxy-3,4,14,17,20,22-hexahydroxy-1-oxo-, δ-lactone, (3β,4β,5β,6β,17α,22R)- |
| CAS No. | 1198400-52-0 |
Synthetic Route by SureRoute
2. ACFKQH392 Molecular Building Block Synthetic Route
(3S,4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-3,4-dihydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one
4-hydroxy-9-(1-(5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3-methoxy-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one
(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one