Account Cassaine
- Catalog No. :
- ACVDRA222
- CAS No. :
- 468-76-8
- Molecular Formula :
- C24H39NO4
- Molecular Weight :
- 405.58
IUPAC Name:2-(dimethylamino)ethyl 2-((1R,4aS,4bR,7S,8aR,10aS,E)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxododecahydrophenanthren-2(1H)-ylidene)acetate
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Product Information
| Product Name | Cassaine |
|---|---|
| IUPAC Name | 2-(dimethylamino)ethyl 2-((1R,4aS,4bR,7S,8aR,10aS,E)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxododecahydrophenanthren-2(1H)-ylidene)acetate |
| Molecular Formula | C24H39NO4 |
| Molecular Weight | 405.58 |
| SMILES | O=C(OCCN(C)C)/C=C(CC[C@]1([H])[C@@]2(C)CC[C@H](O)C(C)(C)[C@]2([H])C3)/[C@H](C)[C@]1([H])C3=O |
| InChI Key | GMHWATCMBXIANN-IOJUAHGHSA-N |
| Synonym | cassaine;(Dodecahydro-7.beta.-hydroxy-1.alpha.,4B.beta.,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)acetic acid 2-(dimethylamino)ethyl ester sulfate;Acetic acid, [(1R,4as,4br,7S,8ar,10as)-dodecahydro-7-hydroxy-1,4B,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]-, 2-(dimethylamino)ethyl ester, (2E)-;Aids002656;Aids-002656;Diterpene alkaloid;Nsc72302;Podocarpane-D13,A-acetic acid, 3B-hydroxy-14A-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, (E)- |
| CAS No. | 468-76-8 |
Synthetic Route by SureRoute
2. ACVDRA222 Molecular Building Block Synthetic Route
(2S,4aR,4bS,8R,8aS,9S,10aR,E)-7-(2-(2-(Dimethylamino)ethoxy)-2-oxoethylidene)-9-hydroxy-1,1,4a,8-tetramethyltetradecahydrophenanthren-2-yl 3-hydroxybutanoate hydrochloride
4-((5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
10-hydroxy-2,2,4a,6a,6b,9,9,12a-octamethyl-2,3,4,4a,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-5(1H)-one