Concept information
Preferred term
1005 کرون
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C45H70N8O13
inchi
- InChI=1S/C45H70N8O13/c1-25(2)22-30-18-19-45(63,66-28(30)6)44(7,62)43(61)49-35-36(26(3)4)65-42(60)31(24-54)48-37(55)32-16-12-20-46-51(32)39(57)34(23-29-14-10-9-11-15-29)50(8)38(56)27(5)53(64)40(58)33-17-13-21-47-52(33)41(35)59/h9-11,14-15,25-28,30-36,46-47,54,62-64H,12-13,16-24H2,1-8H3,(H,48,55)(H,49,61)
inchikey
- CQRHYPCUIMZJPK-UHFFFAOYSA-N
mass
- 931.098
monoisotopicmass
- 930.50623
smiles
- O=C1OC(C(NC(=O)C(O)(C2(OC(C(CC(C)C)CC2)C)O)C)C(=O)N3NCCCC3C(=O)N(O)C(C)C(N(C(C(N4C(C(NC1CO)=O)CCCN4)=O)CC5=CC=CC=C5)C)=O)C(C)C
subset
- 2_STAR
synonym EXACT
- N-[3-benzyl-7-hydroxy-20-(hydroxymethyl)-4,6-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:204262
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