(Q82900326)

English

[(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate

chemical compound

In more languages

Statements

type of chemical entity

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illudane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

430.1991533 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₇

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canonical SMILES

O=CC1=CC2(O)CC(C)(C)CC2C3(C)CC(OC(=O)C4=C(O)C=C(OC)C=C4C)C13O

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isomeric SMILES

CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C)O)OC

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Armillaria mellea

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Sesquiterpene aryl esters from Armillaria tabescens

Sesquiterpene aryl esters from Armillaria mellea

Identifiers

InChI=1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3/t17-,18-,22-,23+,24+/m1/s1

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JGQMXVRWAOSIBE-NUXVFQDLSA-N

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CAS Registry Number

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JGQMXVRWAOSIBE-NUXVFQDLSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=127500-59-8

1 reference

matched by identifier from

JGQMXVRWAOSIBE-NUXVFQDLSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

JGQMXVRWAOSIBE-NUXVFQDLSA-N

DSSTOX compound identifier

DTXCID601354723

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JGQMXVRWAOSIBE-NUXVFQDLSA-N

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