Name |
1alpha,2alpha,3beta,30-Tetrahydroxyurs-12-ene |
Formula |
C30H50O4 |
Mw |
474.37091008 |
CAS RN |
209343-87-3 |
C_ID |
C00049070
,
|
InChIKey |
BKYUATYKTVXXBH-HHHOVRFCNA-N |
InChICode |
InChI=1S/C30H50O4/c1-17-18(16-31)10-12-27(4)14-15-28(5)19(22(17)27)8-9-21-29(28,6)13-11-20-26(2,3)24(33)23(32)25(34)30(20,21)7/h8,17-18,20-25,31-34H,9-16H2,1-7H3/t17-,18-,20-,21-,22-,23-,24-,25-,27+,28+,29+,30-/m0/s1 |
SMILES |
[C@H]1([C@@H]2[C@](CC[C@H]1CO)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2([C@H]([C@H]([C@@H](C1(C)C)O)O)O)C)C)C)C)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Gentianaceae | Gentiana neurotheca | Ref. |
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