(Q105187399)

English

[(1R,3S,7S,8R,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methyl-3-oxobutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Butanoic acid, 2-methyl-3-oxo-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester

1 reference

based on heuristic

inferred from InChIKey

mass

418.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₆

0 references

canonical SMILES

O=C1OC(CCC2C(C=CC3=CC(C)CC(OC(=O)C(C(=O)C)C)C32)C)CC(O)C1

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isomeric SMILES

CC(=O)[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21

0 references

found in taxon

Monascus ruber

2 references

stated in

Monacolins J and L, new inhibitors of cholesterol biosynthesis produced by Monascus ruber

stated in

Dihydromonacolin L and monacolin X, new metabolites which inhibit cholesterol biosynthesis

Identifiers

InChI

InChI=1S/C24H34O6/c1-13-9-17-6-5-14(2)20(8-7-19-11-18(26)12-22(27)29-19)23(17)21(10-13)30-24(28)15(3)16(4)25/h5-6,9,13-15,18-21,23,26H,7-8,10-12H2,1-4H3/t13-,14+,15+,18-,19-,20-,21-,23+/m1/s1

0 references

InChIKey

NXZRZXCVBJAQDF-PVFGSKJPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

224950

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H34O6/c1-13-9-17-6-5-14(2)20(8-7-19-11-18(26)12-22(27)29-19)23(17)21(10-13)30-24(28)15(3)16(4)25/h5-6,9,13-15,18-21,23,26H,7-8,10-12H2,1-4H3/t13-,14+,15+,18-,19-,20-,21-,23+/m1/s1

1 reference

Natural Product Atlas ID

NPA021383

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NXZRZXCVBJAQDF-PVFGSKJPSA-N

(Q105187399)

[(1R,3S,7S,8R,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methyl-3-oxobutanoate

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Identifiers

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