(Q104947110)

English

(2R,6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

12-Acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid

1 reference

based on heuristic

inferred from SMILES

mass

570.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from InChI

(2R,6S)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₂O₉

0 references

canonical SMILES

O=C(OC1C(=O)C2=C(C(=O)CC3C(C(=O)CCC23C)(C)C)C4(C(=O)CC(C(C)CC(=O)CC(C(=O)O)C)C14C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12C

0 references

found in taxon

Ganoderma lucidum

5 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

Lucidenic acids P and Q, methyl lucidenate P, and other triterpenoids from the fungus Ganoderma lucidum and their inhibitory effects on Epstein-Barr virus activation

stated in

Anti-androgen effects of extracts and compounds from Ganoderma lucidum

Identifiers

InChI

InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/t15-,16-,19-,21+,27-,30+,31+,32+/m1/s1

0 references

InChIKey

BWCNWXLKMWWVBT-BIPJMLQYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWCNWXLKMWWVBT-BIPJMLQYSA-N

1 reference

(Q104947110)

(2R,6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

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Identifiers

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