input word = C00029403

Metabolite InformationStructural formula
Name 16alpha-Acetoxycalactin
Formula C31H42O11
Mw 590.27271219
CAS RN 160168-41-2
C_ID C00029403 ,
InChIKey BMPDNBQADRWROC-YAZUEEJJNA-N
InChICode InChI=1S/C31H42O11/c1-15-8-24(34)31(37)27(39-15)41-21-10-18-4-5-20-19(29(18,14-32)11-22(21)42-31)6-7-28(3)26(17-9-25(35)38-13-17)23(40-16(2)33)12-30(20,28)36/h9,14-15,18-24,26-27,34,36-37H,4-8,10-13H2,1-3H3/t15-,18+,19+,20-,21-,22-,23-,24-,26+,27+,28-,29-,30+,31+/m1/s1
SMILES C1[C@H](O[C@@H]2[C@]([C@@H]1O)(O[C@H]1[C@H](O2)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H]([C@@H](C2)OC(=O)C)C1=CC(=O)OC1)C)O)C=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica L. Ref.
zoom in



OrganismAsclepias curassavica L.
ReferenceWarashina,Chem.Pharm.Bull.,56,(2008),1159