(Q104913124)

English

[(2R)-1-[(1R,4aS,7S,7aR)-1-(4-hydroxy-5-methyl-2-oxochromen-3-yl)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl]-3-methyl-1-oxobutan-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1-[1-(4-Hydroxy-5-methyl-2-oxochromen-3-yl)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl]-3-methyl-1-oxobutan-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R)-1-[(1S,4aS,7S,7aR)-1-(4-hydroxy-5-methyl-2-oxochromen-3-yl)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl]-3-methyl-1-oxobutan-2-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₇

0 references

canonical SMILES

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

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isomeric SMILES

CC(=O)O[C@@H](C(=O)C1=C(C)[C@H]2CC[C@H](C)[C@H]2[C@H](c2c(O)c3c(C)cccc3oc2=O)O1)C(C)C

0 references

found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Identifiers

InChI

InChI=1S/C27H32O7/c1-12(2)24(32-16(6)28)23(30)25-15(5)17-11-10-14(4)19(17)26(34-25)21-22(29)20-13(3)8-7-9-18(20)33-27(21)31/h7-9,12,14,17,19,24,26,29H,10-11H2,1-6H3/t14-,17+,19+,24+,26+/m0/s1

0 references

InChIKey

AJDYNTCJXHLYJW-RHQFSUAXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AJDYNTCJXHLYJW-RHQFSUAXSA-N

(Q104913124)

[(2R)-1-[(1R,4aS,7S,7aR)-1-(4-hydroxy-5-methyl-2-oxochromen-3-yl)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl]-3-methyl-1-oxobutan-2-yl] acetate

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