Primary Record
Emestrin
- In stock
- 2,623 g
- Purity
- 98.4 %
- CAS
- 97816-62-1
Compound Identifiers & Properties
- CAS
- 97816-62-1
- PubChem CID
- 73555
- SMILES
- CN1C(=O)[C@]23[C@@H](C4=COC=C[C@H]5[C@@H]4N2C(=O)[C@]1([C@H](C6=CC(=C(C=C6)O)OC7=C(C=CC=C7OC)C(=O)O5)O)SS3)O
- Canonical SMILES
- COc1cccc2c1Oc1cc(ccc1O)[C@H](O)[C@@]13SS[C@@]4(C(=O)N1C)[C@H](O)C1=COC=C[C@H](OC2=O)[C@@H]1N4C3=O
Names & Synonyms
- Emestrin
- AC1L2K2P
- AC1Q6P16
- DTXSID901046701
- KST-1A0151
- CID73555
- AR-1A1261
- 97816-62-1
- (1r,3r,9s,24s,25s,32r)-20,24,32-trihydroxy-16-methoxy-29-methyl-6,10,18-trioxa-26,27-dithia-2,29-diazaheptacyclo[23.2.2.11,4.12,25.119,23.03,9.012,17]dotriaconta-4,7,12,14,16,19(31),20,22-octaene-11,28,30-trione(non-preferred name)
- (1R,3R,9S,24S,25S,32R)-20,24,32-Trihydroxy-16-methoxy-29-methyl-6,10,18-trioxa-26,27-dithia-2,29-diazaheptacyclo[23.2.2.11,4.12,25.119,23.03,9.012,17]dotriaconta-4,7,12(17),13,15,19,21,23(31)-octaene-11,28,30-trione
- 5437-02-5