input word = C00029413

Metabolite InformationStructural formula
Name 19-nor-16alpha-Acetoxy-10beta-hydroxyasclepin
Formula C32H44O12
Mw 620.28327687
CAS RN 869222-82-2
C_ID C00029413 ,
InChIKey GTDWVHHOYGPTHH-QIIGAEJGNA-N
InChICode InChI=1S/C32H44O12/c1-15-9-25(42-17(3)34)32(38)28(40-15)43-22-11-19-5-6-21-20(30(19,36)12-23(22)44-32)7-8-29(4)27(18-10-26(35)39-14-18)24(41-16(2)33)13-31(21,29)37/h10,15,19-25,27-28,36-38H,5-9,11-14H2,1-4H3/t15-,19+,20+,21-,22-,23-,24-,25+,27+,28+,29-,30-,31+,32+/m1/s1
SMILES C1[C@H](O[C@@H]2[C@]([C@H]1OC(=O)C)(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)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica L. Ref.
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OrganismAsclepias curassavica L.
ReferenceWarashina,Chem.Pharm.Bull.,56,(2008),1159