input word = C00055314

Metabolite InformationStructural formula
Name 22,23-Dihydro-alpha-spinasterone
Formula C29H48O
Mw 412.37051615
CAS RN 77790-54-6
C_ID C00055314
InChIKey JWANJDUXWSJWER-KMCRJJFKSA-N
InChICode InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-22,25-27H,7-10,12-18H2,1-6H3/t20-,21-,22+,25-,26+,27+,28+,29-/m1/s1
SMILES [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3([C@H](C)CC[C@H](C(C)C)CC)[H])C1=CC[C@@]4([C@@]2(CCC(C4)=O)C)[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeThea sinensis Ref.
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OrganismThea sinensis
ReferenceSucrow, W. et al., Z. Naturforsch., B, 1968, 23, 42-45 (isol)