input word = C00057723

Metabolite InformationStructural formula
Name Pubesenolide
Formula C28H42O5
Mw 458.30322445
CAS RN 98569-64-3
C_ID C00057723
InChIKey MBFORAZENPTBNT-FIWDOQIISA-N
InChICode InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)19-9-10-27(3)21(19)7-8-23-22(27)6-5-17-12-18(30)13-25(31)28(17,23)4/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19+,21+,22+,23-,24+,25-,27+,28-/m0/s1
SMILES CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@H]3CC=C3C[C@@H](O)C[C@H](O)[C@@]32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pubescens Ref.
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OrganismPhysalis pubescens
ReferenceSahai, M.J. Nat. Prod., 1985, 48, 474-476 (Pubesenolide)