input word = C00055678

Metabolite InformationStructural formula
Name 3beta,6beta-stigmast-4-en-3,6-diol
Formula C29H50O2
Mw 430.38108084
CAS RN 113626-76-9
C_ID C00055678
InChIKey OOUCIUZOGLWLAN-NDDUEHJASA-N
InChICode InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-25,27,30-31H,7-15,17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,27-,28-,29-/m1/s1
SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrangeaceaePileostegia viburnoides var. glabrescens Ref.
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OrganismPileostegia viburnoides var. glabrescens
ReferenceChen, S-H. et al., Nat. Prod. Commun., 11, (2016), 931-934.