input word = C00062072

Metabolite InformationStructural formula
Name 3beta,11alpha-Dihydroxyolean-12-ene
Formula C30H50O2
Mw 442.38108084
CAS RN 5282-14-4
C_ID C00062072
InChIKey UBUHIKQRNDOKCZ-VCFUHQIWSA-N
InChICode InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21?,22?,23?,24-,27-,28+,29-,30-/m1/s1;InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3/t20?,21?,22?,23?,24?,27-,28+,29-,30-/m1/s1;InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3;InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1;InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21?,22-,23?,24+,27-,28+,29-,30-/m1/s1
SMILES CC1(C)CCC2(C)CCC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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