Concept information
Preferred term
کراسیکولین A
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C35H49NO10
has_parent_hydride
inchi
- InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1
inchikey
- GAZDXIGXYWVWQX-QVAFJCLZSA-N
mass
- 643.766
monoisotopicmass
- 643.33565
smiles
- [C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)(O)[C@@H]6OC(C7=CC=C(C=C7)OC)=O)[H])[H])OC(C)=O)[H])CC)(COC)CC[C@@H]3OC)[H]
subset
- 3_STAR
synonym EXACT
- 8-(acetyloxy)-20-ethyl-13-hydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl 4-methoxybenzoate
synonym RELATED
- (1alpha,6alpha,14alpha,16beta)-8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:132638
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