Account N-Demethylansamitocin P-3
- Catalog No. :
- ACKGLA041
- CAS No. :
- 77353-69-6
- Molecular Formula :
- C31H41ClN2O9
- Molecular Weight :
- 621.13
IUPAC Name:(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,10-trimethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl isobutyrate
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Product Information
| Product Name | N-Demethylansamitocin P-3 |
|---|---|
| IUPAC Name | (14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,10-trimethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl isobutyrate |
| Molecular Formula | C31H41ClN2O9 |
| Molecular Weight | 621.13 |
| SMILES | C[C@@]12[C@@]([H])(O2)[C@H](C)[C@@]3(C[C@](NC(O3)=O)(O)[C@H](OC)/C=C/C=C(C)/CC4=CC(NC(C[C@@H]1OC(C(C)C)=O)=O)=C(Cl)C(OC)=C4)[H] |
| InChI Key | BOYNDXJJKZMFBK-PRWXLFGZSA-N |
| Synonym | Maytansine, 2-de(acetylmethylamino)-22-demethyl-2-methyl-;ansamitocin pdm-3;Maytansinol Impurity 2 (Ansamitocin PDM-3);N-Demethylansamitocin P-3;(1S,2R,3S,5S,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.11?,1?.03,?]hexacosa-10,12,14(26),16,18-pentaen-6-yl 2-methylpropanoate |
| CAS No. | 77353-69-6 |
Synthetic Route by SureRoute
2. ACKGLA041 Molecular Building Block Synthetic Route
(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Cchloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl isobutyrate
(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl methyl-L-alaninate
(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14,4-dihydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-diene-12,6-dione