(Q105183689)

English

(1S,3S,5R,5'aR,6S,7R,7'S,9'aR,10S,11S)-1',1',5,6,7',10-hexamethyl-3',8-dioxospiro[2,9,12,13-tetraoxatetracyclo[8.2.1.01,5.07,11]tridecane-3,6'-7,8,9,9a-tetrahydro-2-benzoxepine]-5'a-carbaldehyde

chemical compound

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subclass of

1',1',5,6,7',10-Hexamethyl-3',8-dioxospiro[2,9,12,13-tetraoxatetracyclo[8.2.1.01,5.07,11]tridecane-3,6'-7,8,9,9a-tetrahydro-2-benzoxepine]-5'a-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(1S,3S,5S,5'aR,6R,7R,7'S,10R,11S)-1',1',5,6,7',10-hexamethyl-3',8-dioxospiro[2,9,12,13-tetraoxatetracyclo[8.2.1.01,5.07,11]tridecane-3,6'-7,8,9,9a-tetrahydro-2-benzoxepine]-5'a-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

460.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₈

0 references

canonical SMILES

O=CC12C=CC(=O)OC(C)(C)C2CCC(C)C31OC45OC6C(C(=O)OC6(O4)C)C(C)C5(C)C3

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isomeric SMILES

C[C@H]1CC[C@H]2C(C)(C)OC(=O)C=C[C@]2(C=O)[C@]12C[C@]1(C)[C@@H](C)[C@H]3C(=O)O[C@@]4(C)O[C@@]1(O[C@@H]34)O2

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found in taxon

Aspergillus novofumigatus

1 reference

stated in

Novofumigatonin, a new orthoester meroterpenoid from Aspergillus novofumigatus.

Identifiers

InChI

InChI=1S/C25H32O8/c1-13-7-8-15-20(3,4)29-16(27)9-10-23(15,12-26)24(13)11-21(5)14(2)17-18-22(6,31-19(17)28)32-25(21,30-18)33-24/h9-10,12-15,17-18H,7-8,11H2,1-6H3/t13-,14-,15-,17+,18-,21+,22-,23+,24-,25+/m0/s1

0 references

InChIKey

NQBMUBGAOCZKBE-VCGJBDIASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQBMUBGAOCZKBE-VCGJBDIASA-N

(Q105183689)

(1S,3S,5R,5'aR,6S,7R,7'S,9'aR,10S,11S)-1',1',5,6,7',10-hexamethyl-3',8-dioxospiro[2,9,12,13-tetraoxatetracyclo[8.2.1.01,5.07,11]tridecane-3,6'-7,8,9,9a-tetrahydro-2-benzoxepine]-5'a-carbaldehyde

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