(Q105346368)

English

(1R,2S,3S,4S,5S,8R,9R,11S,12R)-8-formyl-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

8-Formyl-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,3S,4S,5S,8R,9R,11R,12R)-8-formyl-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₀H₂₆O₇

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canonical SMILES

O=CC12CCC(O)C(C(=O)O)(C)C2C(C(=O)O)C34CC(=C)C(C3)C(O)CC14

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isomeric SMILES

C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O

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Fusarium fujikuroi

1 reference

Microbiological conversion of 12-oxygenated and other derivatives of ent-kaur-16-en-19-oic acid by Gibberella Fujikuroi, mutant B1-41a

Identifiers

InChI=1S/C20H26O7/c1-9-6-20-7-10(9)11(22)5-12(20)19(8-21)4-3-13(23)18(2,17(26)27)15(19)14(20)16(24)25/h8,10-15,22-23H,1,3-7H2,2H3,(H,24,25)(H,26,27)/t10-,11+,12+,13+,14-,15-,18-,19-,20+/m1/s1

0 references

YCNCBJJIJOFKHI-YIGLHTSQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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