Account Mipsagargin
- Catalog No. :
- ACHISQ451
- CAS No. :
- 1245732-48-2
- Molecular Formula :
- C66H100N6O27
- Molecular Weight :
- 1409.54
IUPAC Name:(3S,8S,13S,18S,21S)-36-(((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(((Z)-2-methylbut-2-enoyl)oxy)-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl)oxy)-21-amino-5,10,15,20,23,36-hexaoxo-4,9,14,19,24-pentaazahexatriacontane-1,3,8,13,18-pentacarboxylic acid
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Product Information
| Product Name | Mipsagargin |
|---|---|
| IUPAC Name | (3S,8S,13S,18S,21S)-36-(((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(((Z)-2-methylbut-2-enoyl)oxy)-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl)oxy)-21-amino-5,10,15,20,23,36-hexaoxo-4,9,14,19,24-pentaazahexatriacontane-1,3,8,13,18-pentacarboxylic acid |
| Molecular Formula | C66H100N6O27 |
| Molecular Weight | 1409.54 |
| SMILES | CC1=C2[C@]([C@H](OC(CCCCCCC)=O)[C@H]1OC(/C(=C\C)/C)=O)([C@](OC(C)=O)(C)C[C@H](OC(CCCCCCCCCCCNC(C[C@@H](C(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)N)=O)=O)[C@@]3(O)[C@]2(OC(=O)[C@@]3(C)O)[H])[H] |
| InChI Key | UPYNTAIBQVNPIH-ODMLWHIESA-N |
| Synonym | Mipsagargin | DB11813 | Mipsagargin [INN] | Mipsagargin [USAN:INN] | D10715 | MIPSAGARGIN [WHO-DD] | G-202 | CS-0006388 | MIPSAGARGIN [USAN] | Q032I35QMX | AKOS040759491 | HY-16215 | Mipsagargin (USAN/INN) | UNII-Q032I35QMX | Q27286827 | CHEMBL3989865 |
| CAS No. | 1245732-48-2 |
| PubChem CID | 24772106 |
Synthetic Route by SureRoute
2. ACHISQ451 Molecular Building Block Synthetic Route
(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-Acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-(((Z)-2-methylbut-2-enoyl)oxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate
6-acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-((2-methylbut-2-enoyl)oxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate
(3S,3aR,4S,6S,8R,9bS)-6-acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl (E)-2-methylbut-2-enoate