input word = C00043570

Metabolite InformationStructural formula
Name Herkesterone
Formula C27H42O8
Mw 494.28796832
CAS RN 730981-24-5
C_ID C00043570 ,
InChIKey IPPARPMLJLUMNP-MMBSGJDSNA-N
InChICode InChI=1S/C27H42O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h6,12,17-20,28-30,32-35H,7-11,13-14H2,1-5H3/t17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1
SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)C3=CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSerratula wolffii Ref.
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