(Q105127752)

English

(E,2S)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(E)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid

1 reference

1 reference

1 reference

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z,2S)-6-[(5S,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀O₇

0 references

canonical SMILES

O=C(O)C(C)CC(=O)C=C(C)C1CC(=O)C2(C3=C(C(=O)CC12C)C4(C)CCC(=O)C(C)(C)C4CC3O)C

0 references

isomeric SMILES

C/C(=C\C(=O)C[C@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O

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found in taxon

Ganoderma applanatum

2 references

stated in

Benzopyran-4-one Derivatives from the Fungus Ganoderma applanatum

stated in

Highly oxygenated lanostane triterpenoids from the fungus Ganoderma applanatum

Ganoderma lucidum

4 references

stated in

Fragmentation pathways of oxygenated tetracyclic triterpenoids and their application in the qualitative analysis of Ganoderma lucidum by multistage tandem mass spectrometry.

stated in

Cytotoxic triterpenoids from Ganoderma lucidum

stated in

Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum

stated in

Structures of new terpenoid constituents of Ganoderma lucidum (Fr.) KARST (Polyporaceae).

Identifiers

InChI

InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16-,18+,19-,21-,28-,29+,30-/m0/s1

0 references

InChIKey

JGWQYLZHPPFHEH-BPGZZXQISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JGWQYLZHPPFHEH-BPGZZXQISA-N

(Q105127752)

(E,2S)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

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