Primary Record
Emestrin
- In stock
- 2,623 g
- Purity
- 98.4 %
- CAS
- 97816-62-1
Compound Identifiers & Properties
- CAS
- 97816-62-1
- PubChem CID
- 11758256
- 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(=C7)C(=O)O5)OC)O)SS3)O
- Canonical SMILES
- COc1ccc2cc1Oc1cc(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
- Emestrine
- emestrin A
- RefChem:136670
- SCHEMBL1096344
- CHEBI:198198
- DTXCID601528520
- DTXSID901046701
- BBF-01215
- CID11758256
- CID 11758256
- J354.418D
- 97816-62-1
- (1R,3S,9S,23S,24R,32R)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
- (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
- (1R,3S,9S,23S,24R,32R)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo(22.2.2.11,4.12,24.112,16.118,22.03,9)dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
- (1R,3S,9S,23S,24R,32R)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione
- 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