Concept information
Preferred term
(1s,5'r,6'r,10z,12z,14s,15s,16z,19r,21s)-6'-[(2s)-butan-2-yl]-7,15-dihydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3,4'-dione
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C34H46O7
inchi
- InChI=1S/C34H46O7/c1-8-19(2)32-24(7)30(36)18-34(41-32)17-26-15-25(40-34)13-12-22(5)31(37)21(4)11-9-10-20(3)27-16-29(35)23(6)14-28(27)33(38)39-26/h9-12,14,16,19,21,24-26,31-32,35,37H,8,13,15,17-18H2,1-7H3/b11-9-,20-10-,22-12-/t19-,21-,24-,25+,26-,31-,32+,34-/m0/s1
inchikey
- KHPJFZONTNKGTH-OXLHMNQBSA-N
mass
- 566.735
monoisotopicmass
- 566.32435
smiles
- O=C1O[C@@H]2C[C@@]3(O[C@@H]([C@@H](C)C(C3)=O)[C@H](CC)C)O[C@@H](C2)CC=C([C@@H](O)[C@H](C=CC=C(C4=C1C=C(C)C(=C4)O)C)C)C
subset
- 2_STAR
synonym EXACT
- (1S,5'R,6'R,10Z,12Z,14S,15S,16Z,19R,21S)-6'-[(2S)-butan-2-yl]-7,15-dihydroxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3,4'-dione
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:224058
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