input word = C00046565

Metabolite InformationStructural formula
Name 17beta,20beta-Epoxy-23,24-dimethylcholest-5-ene-3beta,22-diol 3beta,22-diacetate
Formula C33H52O5
Mw 528.38147477
CAS RN 253195-58-3
C_ID C00046565 ,
InChIKey BXRVOAVGZJVGNJ-XARMVGKRNA-N
InChICode InChI=1S/C33H52O5/c1-19(2)20(3)21(4)29(37-23(6)35)32(9)33(38-32)17-14-28-26-11-10-24-18-25(36-22(5)34)12-15-30(24,7)27(26)13-16-31(28,33)8/h10,19-21,25-29H,11-18H2,1-9H3/t20-,21+,25+,26-,27+,28+,29+,30+,31+,32+,33+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@]21O[C@@]2(C)[C@@H](OC(=O)C)[C@H]([C@H](C)C(C)C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSarcophyton crassocaule Ref.
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OrganismSarcophyton crassocaule
ReferenceAnjaneyulu,J.Nat.Prod.,63,(2000),112