skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

emestrin f  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C27H22N2O9S2

inchi

  • InChI=1S/C27H22N2O9S2/c1-28-25(34)27-22(31)15-12-36-8-7-18-21(15)29(27)24(33)26(28,39-40-27)11-13-3-5-16(30)19(9-13)37-20-10-14(23(32)38-18)4-6-17(20)35-2/h3-10,12,18,21-22,30-31H,11H2,1-2H3/t18-,21-,22+,26+,27+/m0/s1

inchikey

  • HMRONKUXQQHMSE-UXNWCUSXSA-N

mass

  • 582.600

monoisotopicmass

  • 582.07667

smiles

  • S1S[C@@]23N4[C@@H]5[C@@H](OC(=O)C=6C=CC(=C(OC=7C=C(C[C@]1(N(C)C2=O)C4=O)C=CC7O)C6)OC)C=COC=C5[C@H]3O

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,9S,24R,32R)-19,32-dihydroxy-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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211318

Download this concept: