Concept information
Preferred term
اسکوپولارید B
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C38H61N5O7
inchi
- InChI=1S/C38H61N5O7/c1-8-9-10-11-12-14-17-26(6)31-22-32(44)39-23-33(45)43-34(25(4)5)37(48)41-29(20-24(2)3)36(47)40-27(7)35(46)42-30(38(49)50-31)21-28-18-15-13-16-19-28/h13,15-16,18-19,24-27,29-31,34H,8-12,14,17,20-23H2,1-7H3,(H,39,44)(H,40,47)(H,41,48)(H,42,46)(H,43,45)/t26?,27-,29+,30-,31-,34-/m0/s1
inchikey
- RALTUMFCLLNZRF-ZWQOBNLXSA-N
mass
- 699.934
monoisotopicmass
- 699.45710
smiles
- O=C1O[C@H](C(CCCCCCCC)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1CC2=CC=CC=C2)=O)C)=O)CC(C)C)=O
subset
- 2_STAR
synonym EXACT
- (3S,6S,9R,12S,19S)-3-benzyl-19-decan-2-yl-6-methyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:221513
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