(Q105373803)

English

(2R,6R)-6-[(4S,5R,10S,13R,14S,17R)-14-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-2,4,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(14-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-2,4,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-3-methylideneheptanoic acid

1 reference

based on heuristic

inferred from SMILES

(4alpha)-14-Hydroxy-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid

1 reference

based on heuristic

inferred from SMILES

mass

484.282489 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,6R)-6-[(4S,5S,10S,13R,14S,17R)-14-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-2,4,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₆

0 references

canonical SMILES

O=C(O)C(C(=C)CCC(C)C1CCC2(O)C=3C(=O)CC4C(C(=O)CCC4(C3C(=O)CC12C)C)C)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@@H](C)C(=O)O

0 references

found in taxon

Antrodia cinnamomea

1 reference

stated in

Zhankuic acid F: a new metabolite from a formosan fungus Antrodia cinnamomea

Taiwanofungus camphoratus

1 reference

stated in

Zhankuic acid F: a new metabolite from a formosan fungus Antrodia cinnamomea

Identifiers

InChI

InChI=1S/C29H40O6/c1-15(17(3)26(33)34)7-8-16(2)19-9-12-29(35)25-22(31)13-20-18(4)21(30)10-11-27(20,5)24(25)23(32)14-28(19,29)6/h16-20,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18+,19-,20-,27+,28-,29-/m1/s1

0 references

InChIKey

ZEXGDMONMBETSX-YIQUKEMISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZEXGDMONMBETSX-YIQUKEMISA-N

(Q105373803)

(2R,6R)-6-[(4S,5R,10S,13R,14S,17R)-14-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-2,4,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

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