Concept information
Preferred term
methyl (r)-4-((3r,5s,7r,8s,9s,10s,13r,14r,17r)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C25H42O5
inchi
- InChI=1S/C25H42O5/c1-15(5-6-21(28)30-4)18-9-12-25(29)22-19(8-11-24(18,25)3)23(2)10-7-17(26)13-16(23)14-20(22)27/h15-20,22,26-27,29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20-,22+,23+,24-,25-/m1/s1
inchikey
- BBQNKFCDPDYHLC-SEYSDJQSSA-N
mass
- 422.606
monoisotopicmass
- 422.30322
smiles
- O[C@]12[C@@]([C@](CC1)([C@@H](CCC(OC)=O)C)[H])(CC[C@]3([C@]2([C@H](O)C[C@]4([C@@]3(CC[C@@H](O)C4)C)[H])[H])[H])C
subset
- 2_STAR
synonym EXACT
- methyl (4R)-4-[(3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:181792
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