(Q105322928)

English

3-[(1R,4aS,7S,7aR)-4,7-dimethyl-3-(3-methylbut-2-enoyl)-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

3-[4,7-Dimethyl-3-(3-methylbut-2-enoyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-4-hydroxy-5-methylchromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

408.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₅

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canonical SMILES

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

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isomeric SMILES

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

0 references

found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Gypothamnium pinifolium

2 references

stated in

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

stated in

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

Identifiers

InChI

InChI=1S/C25H28O5/c1-12(2)11-17(26)23-15(5)16-10-9-14(4)19(16)24(30-23)21-22(27)20-13(3)7-6-8-18(20)29-25(21)28/h6-8,11,14,16,19,24,27H,9-10H2,1-5H3/t14-,16+,19+,24+/m0/s1

0 references

InChIKey

WZBBLMJBIYASSL-QVUVVFHOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WZBBLMJBIYASSL-QVUVVFHOSA-N

(Q105322928)

3-[(1R,4aS,7S,7aR)-4,7-dimethyl-3-(3-methylbut-2-enoyl)-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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