Concept information
Preferred term
آژوبراکتین B
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H40O9
has_role
inchi
- InChI=1S/C28H40O9/c1-15(2)24(31)36-21-8-7-20-26(6,22-12-19-9-10-32-25(19)37-22)16(3)11-23(35-18(5)30)27(20,13-33-17(4)29)28(21)14-34-28/h9-10,15-16,19-23,25H,7-8,11-14H2,1-6H3/t16-,19-,20-,21+,22+,23+,25+,26+,27+,28-/m1/s1
inchikey
- RKCOYWMHQMBBIY-LIPLWNDUSA-N
mass
- 520.61180
monoisotopicmass
- 520.26723
smiles
- CC(C)C(=O)O[C@H]1CC[C@@H]2[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1
subset
- 3_STAR
synonym EXACT
- (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
synonym RELATED
- 3beta-(isobutyryloxy)clerodin
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:67458
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