Concept information
Preferred term
Simplicibetain
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H38O5
inchi
- InChI=1S/C26H38O5/c1-14-9-10-17-23(4,5)18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)31-26/h14,17-18,27H,9-13H2,1-8H3/t14-,17-,18+,24+,25-,26-/m0/s1
inchikey
- HZEVYBOSABKEMZ-DPXDLHFZSA-N
mass
- 430.585
monoisotopicmass
- 430.27192
smiles
- O=C1C(=C([C@]2(C[C@@]3(OC2=C1C)[C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@@H]3C)C)C)C)C(=O)OC
subset
- 2_STAR
synonym EXACT
- methyl (3R,3'aR,4aS,7S,8S,8aS)-3-hydroxy-3'a,4,4,4',7,7',8a-heptamethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-5'-carboxylate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:216644
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