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 C1=C2C(=CC(=O)[C@]3([C@@]2(C[C@@H]([C@@H](C3)O)O)C)O)[C@]2([C@](C1)([C@H](CC2)[C@]([C@H](O)CCC(C)(O)C)(O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSerratula wolffii Ref.
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