(Q105324227)

English

(1R,3S,4S,7R,11S,12R,13S,16S)-1,4,16-trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde

chemical compound

In more languages

Statements

type of chemical entity

0 references

1,4,16-Trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

368.271530392 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3S,4S,7R,11S,12S,13S,16S)-1,4,16-trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde

1 reference

based on heuristic

inferred from InChI

(1R,3S,4S,7R,8E,11S,12R,13S,16S)-1,4,16-trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde

1 reference

based on heuristic

inferred from InChI

(3R,3aR,3bR,6aS,9R,9aR,10aS,12aR)-1,2,3,3a,3b,4,6a,7,8,9,9a,10,10a,11,12,12a-Hexadecahydro-9,10a,12a-trimethyl-3-(1-methylvinyl)-7-oxocyclopenta[4,5]cycloocta[1,2-e]indene-6-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₆O₂

0 references

canonical SMILES

O=CC1=CCC2C3C(C(=C)C)CCC3(C)CCC2(C)CC4C1C(=O)CC4C

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isomeric SMILES

C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC(=O)[C@H]4C(C=O)=CC[C@H]3[C@@H]12

0 references

Aspergillus aurantiobrunneus

2 references

Immunomodulatory constituents from an ascomycete, Emericella aurantio-brunnea.

Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea

Aspergillus purpureus

1 reference

Two New Sesterterpenes from the Ascomycetous FungusEmericellapurpurea

Identifiers

InChI=1S/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/t16-,18+,19-,20-,22-,23+,24-,25+/m0/s1

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XAYQASOMEVLRKN-DGUPHHMFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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