Concept information
Preferred term
(3r,5s,7r,9r,10s,12r,14r,18r,19r,22s,23r)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C29H40O9
inchi
- InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17?,18-,19?,20-,21-,22-,23-,25+,26-,27-,28+,29+/m1/s1
inchikey
- OWPWFVVPBYFKBG-YJUZHQNUSA-N
mass
- 532.630
monoisotopicmass
- 532.26723
smiles
- O[C@@]12[C@]3(C([C@@]4(C(CC3)C[C@]5(O[C@@]6(O[C@@H](C[C@@H](O)[C@@]6(O[C@@]5(C4)[H])O)C)[H])[H])C=O)CC[C@@]1([C@H](CC2)C=7COC(=O)C7)C)[H]
subset
- 2_STAR
synonym EXACT
- (3R,5S,7R,9R,10S,12R,14R,18R,19R,22S,23R)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-uran-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:182360
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