(Q110172439)

English

methyl (2S,4aR,4bS,10aS,10bS,12aS)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

472.209717984 dalton

1 reference

1 reference

C₂₆H₃₂O₈

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canonical SMILES

O=C1OC(C(=O)OC)(C(=O)C2(C(=C)CC3C4(C(=C(O)C(=O)C3(C)C12)C(C(=O)CC4)(C)C)C)C)C

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isomeric SMILES

C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C

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found in taxon

Aspergillus terreus

2 references

stated in

Structure, absolute configuration and biological evaluation of polyoxygenated meroterpenoids from the marine algal-derived Aspergillus terreus EN-539

stated in

BACE1 Inhibitory Meroterpenoids from Aspergillus terreus

Identifiers

InChI

InChI=1S/C26H32O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,17,28H,1,9-11H2,2-8H3/t13-,17-,23-,24+,25-,26-/m0/s1

0 references

InChIKey

GTEJJXOFLPCZGJ-DJFMQIRFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

Natural Product Atlas ID

NPA032376

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GTEJJXOFLPCZGJ-DJFMQIRFSA-N

(Q110172439)

methyl (2S,4aR,4bS,10aS,10bS,12aS)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate

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