(Q104917851)

English

3-[[(3S,3aR,4S)-4-hydroxy-3,6-dimethyl-4-(2-methylpropyl)-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]methyl]-4-hydroxy-5-methylchromen-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-hydroxy-3-[[4-hydroxy-3,6-dimethyl-4-(2-methylpropyl)-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]methyl]-5-methylchromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

410.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₅

0 references

canonical SMILES

O=C1OC2=CC=CC(=C2C(O)=C1CC34C(=C(C(=O)C3(O)CC(C)C)C)CCC4C)C

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isomeric SMILES

CC1=C2CC[C@H](C)[C@@]2(Cc2c(O)c3c(C)cccc3oc2=O)[C@@](O)(CC(C)C)C1=O

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found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Identifiers

InChI

InChI=1S/C25H30O5/c1-13(2)11-25(29)22(27)16(5)18-10-9-15(4)24(18,25)12-17-21(26)20-14(3)7-6-8-19(20)30-23(17)28/h6-8,13,15,26,29H,9-12H2,1-5H3/t15-,24+,25+/m0/s1

0 references

InChIKey

ASIIKDUOZGIVJB-WOMWNREXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASIIKDUOZGIVJB-WOMWNREXSA-N

(Q104917851)

3-[[(3S,3aR,4S)-4-hydroxy-3,6-dimethyl-4-(2-methylpropyl)-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]methyl]-4-hydroxy-5-methylchromen-2-one

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