Account (2S,4S,4aS,5R,9R,12aR,12bR,13S)-4-hydroxy-9-methyl-3-methyleneoctahydro-2H,5H,6aH,8H-9,12a,5-(epiethane[1,1,2]triyl)-2,4a-ethanooxocino[2,3-c]isochromen-8-one
- Catalog No. :
- ACUMPD723
- CAS No. :
- 180961-65-3
- Molecular Formula :
- C20H26O4
- Molecular Weight :
- 330.42
IUPAC Name:(2S,4S,4aS,5R,9R,12aR,12bR,13S)-4-hydroxy-9-methyl-3-methyleneoctahydro-2H,5H,6aH,8H-9,12a,5-(epiethane[1,1,2]triyl)-2,4a-ethanooxocino[2,3-c]isochromen-8-one
![(2S,4S,4aS,5R,9R,12aR,12bR,13S)-4-hydroxy-9-methyl-3-methyleneoctahydro-2H,5H,6aH,8H-9,12a,5-(epiethane[1,1,2]triyl)-2,4a-ethanooxocino[2,3-c]isochromen-8-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,4S,4aS,5R,9R,12aR,12bR,13S)-4-hydroxy-9-methyl-3-methyleneoctahydro-2H,5H,6aH,8H-9,12a,5-(epiethane[1,1,2]triyl)-2,4a-ethanooxocino[2,3-c]isochromen-8-one |
|---|---|
| IUPAC Name | (2S,4S,4aS,5R,9R,12aR,12bR,13S)-4-hydroxy-9-methyl-3-methyleneoctahydro-2H,5H,6aH,8H-9,12a,5-(epiethane[1,1,2]triyl)-2,4a-ethanooxocino[2,3-c]isochromen-8-one |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.42 |
| SMILES | C=C1[C@H]2CC[C@@]3([C@H]4C[C@H]5[C@@]6(CCC[C@@]5(C)C(=O)OC6O4)[C@@H]3C2)[C@H]1O |
| InChI Key | DNBGAGAUTOKWGJ-HTYOSSKZSA-N |
| Synonym | Spiramilactone B;Atis-16-en-18-oic acid, 7,20-epoxy-15,20-dihydroxy-, δ-lactone, (4α,5β,7α,8α,9β,10α,12α,15α,20S)- (9CI) |
| CAS No. | 180961-65-3 |
Synthetic Route by SureRoute
2. ACUMPD723 Molecular Building Block Synthetic Route
(1R,3aR,4a'S,6S,7S,7aR,7'R,9'R,9a'S)-9'-hydroxy-3a-methyl-8'-methylenedodecahydro-1'H,3H,3'H-spiro[[1,6]epoxyisobenzofuran-7,4'-[7,9a]methanocyclohepta[c]pyran]-1'-one
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 7,11-dihydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 7-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate