(Q105312653)

English

[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z,4R)-5-acetyloxy-4-methylpent-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

eremophilane sesquiterpenoid

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388.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,7R,8aS)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (E,4R)-5-acetyloxy-4-methylpent-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₅

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canonical SMILES

O=C(OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C)C=CC(C)COC(=O)C

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isomeric SMILES

C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C\[C@@H](C)COC(C)=O)[C@@H]2C

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Packera werneriifolia

1 reference

Neue eremophilene aus südafrikanischen Senecio-arten

Identifiers

InChI=1S/C23H32O5/c1-14(2)19-12-23(6)16(4)21(9-8-18(23)11-20(19)25)28-22(26)10-7-15(3)13-27-17(5)24/h7,10-11,15-16,19,21H,1,8-9,12-13H2,2-6H3/b10-7-/t15-,16+,19+,21-,23-/m1/s1

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WTMPWLYHFOCWAX-KYXSEHIZSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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