(Q105180061)

English

(1R,2R,4S,5R,8R,9S,10S,11R,17S)-4,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

4,17-Dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C(O)C1C2C3(C(=O)OCC2(CCC3O)C4CC(O)C5C(=C)CC14C5)C

0 references

isomeric SMILES

C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O

0 references

found in taxon

Fusarium fujikuroi

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C20H26O6/c1-9-6-20-7-10(9)11(21)5-12(20)19-4-3-13(22)18(2,17(25)26-8-19)15(19)14(20)16(23)24/h10-15,21-22H,1,3-8H2,2H3,(H,23,24)/t10-,11+,12+,13+,14-,15-,18+,19-,20+/m1/s1

0 references

InChIKey

NIZRVFGRLRIFTM-TXEGNFOSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NIZRVFGRLRIFTM-TXEGNFOSSA-N

(Q105180061)

(1R,2R,4S,5R,8R,9S,10S,11R,17S)-4,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid

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Identifiers

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