Concept information
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heteropentacyclic compound
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heteropentacyclic compound
Preferred term
15-acetyltrichagmalin e
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C40H48O15
has_functional_parent
has_role
inchi
- InChI=1S/C40H48O15/c1-11-19(2)33(46)53-35-37(8)18-39(54-22(5)43)38(9,26(37)16-27(45)48-10)25-12-14-36(7)29(28(25)32(51-21(4)42)40(35,39)55-23(6)44)30(50-20(3)41)34(47)52-31(36)24-13-15-49-17-24/h11,13,15,17,25-26,30-32,35H,12,14,16,18H2,1-10H3/b19-11+/t25-,26-,30+,31-,32-,35-,36+,37-,38+,39+,40+/m0/s1
inchikey
- JPEOURBMRMLICN-POSMAMQXSA-N
mass
- 768.80010
monoisotopicmass
- 768.29932
smiles
- COC(=O)C[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(C)=O)C4=C1[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H]2OC(=O)C(/C)=C/C)c1ccoc1
subset
- 3_STAR
In other languages
-
Persian
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:68366
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