(Q105290106)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

474.225368048 dalton

1 reference

2 references

inferred from InChIKey

1 reference

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

1 reference

1 reference

1 reference

C₂₆H₃₄O₈

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canonical SMILES

O=C1OC(C(=O)OC)(C(=O)C2(C(=C)CC3C4(C)CCC(=O)C(C)(C)C4C(=O)C(O)C3(C)C12)C)C

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isomeric SMILES

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

1 reference

stated in

Sesterterpenoids, terretonins A-D, and an alkaloid, asterrelenin, from Aspergillus terreus

Identifiers

InChI

InChI=1S/C26H34O8/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/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16-,17-,18+,23-,24-,25-,26-/m1/s1

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InChIKey

VOCWMGRIYMFSCC-FOHVMROESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VOCWMGRIYMFSCC-FOHVMROESA-N

(Q105290106)

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

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