input word = C00037725

Metabolite InformationStructural formula
Name Regelindiol A
Formula C31H50O4
Mw 486.37091008
CAS RN 121880-08-8
C_ID C00037725 ,
InChIKey PQBJUPQYHXRZJY-LAIRAORCNA-N
InChICode InChI=1S/C31H50O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24-,25-,28-,29-,30+,31+/m0/s1
SMILES COC(=O)[C@@H]1C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
PlantaeCelastraceaeTripterygium wilfordii Hook f. Ref.
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