input word = C00054746

Metabolite InformationStructural formula
Name 15-Acetoxy-5,6:22,26:24,25-triepoxy-4,26-dihydroxyergost-2-en-1-one
Formula C30H42O8
Mw 530.28796832
CAS RN 74747-52-7
C_ID C00054746
InChIKey QYJHRILRWPBICK-NBPVZKKPSA-N
InChICode InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16+,17-,18+,19-,20+,22-,23+,24+,25+,26+,27-,28-,29+,30+/m0/s1
SMILES C[C@@]12[C@]([C@@H](OC(C)=O)C[C@@]2([C@H](C)[C@]3([H])O[C@@H](O)[C@@](C)(O4)[C@]4(C)C3)[H])([H])[C@]5([H])C[C@]6([H])[C@]([C@@]7(C)[C@@]5([H])CC1)(O6)[C@@H](O)C=CC7=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pubescens Ref.
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