Concept information
Preferred term
(2S,4aR,4bR,6aS,12bS,12cS,14aS) 4a دمتیل پاسپالین کربوکسیلیک اسید
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H37NO4
inchi
- InChI=1S/C28H37NO4/c1-25(2,32)21-12-14-28(24(30)31)20-10-9-16-15-18-17-7-5-6-8-19(17)29-23(18)27(16,4)26(20,3)13-11-22(28)33-21/h5-8,16,20-22,29,32H,9-15H2,1-4H3,(H,30,31)/t16-,20+,21-,22-,26-,27+,28+/m0/s1
inchikey
- QHCUDWQJVPGPRW-JKEWKBHPSA-N
mass
- 451.607
monoisotopicmass
- 451.27226
smiles
- O=C(O)[C@]12[C@@H](O[C@H](C(O)(C)C)CC1)CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C
subset
- 2_STAR
synonym EXACT
- (1S,2S,5S,7S,10R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-10-carboxylic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:207788
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