input word = C00034279

Metabolite InformationStructural formula
Name Spirosta-5,25(27)-diene-1beta,3beta,11alpha-triol
Formula C27H40O5
Mw 444.28757439
CAS RN 34302-29-9
C_ID C00034279 ,
InChIKey HAIJPYDYMMUVDU-SPQDSWKANA-N
InChICode InChI=1S/C27H40O5/c1-14-7-8-27(31-13-14)15(2)23-21(32-27)11-19-18-6-5-16-9-17(28)10-22(30)26(16,4)24(18)20(29)12-25(19,23)3/h5,15,17-24,28-30H,1,6-13H2,2-4H3/t15-,17+,18-,19-,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O)C)[C@@H](C[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OCC(=C)CC1)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeHelleborus caucasicus Ref.
zoom in