(Q104978815)

English

3-[(1R,4aS,7S,7aR)-3-[(2R)-2-hydroxy-3-methylbutanoyl]-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-4-hydroxy-5-methylchromen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-Hydroxy-3-[3-(2-hydroxy-3-methylbutanoyl)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-5-methylchromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

426.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(1S,4aS,7S,7aR)-3-[(2R)-2-hydroxy-3-methylbutanoyl]-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-4-hydroxy-5-methylchromen-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₆

0 references

canonical SMILES

O=C1OC2=CC=CC(=C2C(O)=C1C3OC(C(=O)C(O)C(C)C)=C(C)C4CCC(C)C34)C

0 references

isomeric SMILES

CC1=C(C(=O)[C@H](O)C(C)C)O[C@@H](c2c(O)c3c(C)cccc3oc2=O)[C@@H]2[C@@H](C)CC[C@H]12

0 references

found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Gypothamnium pinifolium

1 reference

stated in

Diterpenes and 5-methyl coumarin derivatives from Gypothamnium pinifolium and Plazia daphnoides

Identifiers

InChI

InChI=1S/C25H30O6/c1-11(2)20(26)22(28)23-14(5)15-10-9-13(4)17(15)24(31-23)19-21(27)18-12(3)7-6-8-16(18)30-25(19)29/h6-8,11,13,15,17,20,24,26-27H,9-10H2,1-5H3/t13-,15+,17+,20+,24+/m0/s1

0 references

InChIKey

DGKDRSQFWYQETD-HDGCVAHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DGKDRSQFWYQETD-HDGCVAHASA-N

(Q104978815)

3-[(1R,4aS,7S,7aR)-3-[(2R)-2-hydroxy-3-methylbutanoyl]-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-4-hydroxy-5-methylchromen-2-one

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Identifiers

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