Concept information
Preferred term
(5s,9r,10s,11r,13r,14r,15s,17r)-11,15-dihydroxy-17-[(2s)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C27H42O5
inchi
- InChI=1S/C27H42O5/c1-15(6-9-22(31)25(2,3)32)19-13-20(29)23-18-8-7-16-12-17(28)10-11-26(16,4)24(18)21(30)14-27(19,23)5/h8,15-16,19-21,23-24,29-30,32H,6-7,9-14H2,1-5H3/t15-,16-,19+,20-,21+,23+,24+,26-,27+/m0/s1
inchikey
- WPISUEJUASQDBP-JWAQVPNSSA-N
mass
- 446.628
monoisotopicmass
- 446.30322
smiles
- O=C1C[C@H]2[C@]([C@@H]3C([C@H]4[C@]([C@@H]([C@H](CCC(=O)C(O)(C)C)C)C[C@@H]4O)(C)C[C@H]3O)=CC2)(C)CC1
subset
- 2_STAR
synonym EXACT
- (5S,9R,10S,11R,13R,14R,15S,17R)-11,15-dihydroxy-17-[(2S)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:211743
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