(Q105233187)

English

(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-4-(2-methylpropoxy)-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

10-(Hydroxymethyl)-6-methyl-3-methylidene-4-(2-methylpropoxy)-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

320.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₈O₄

0 references

canonical SMILES

O=C1OC2C=C(CO)CCC=C(C)CC(OCC(C)C)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OCC(C)C)[C@@H]12

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found in taxon

Brachylaena discolor var. rotundata

1 reference

stated in

Sesquiterpene lactones from Brachylaena species

Brachylaena discolor var. transvaalensis

1 reference

stated in

Sesquiterpene lactones from Brachylaena species

Identifiers

InChI

InChI=1S/C19H28O4/c1-12(2)11-22-16-8-13(3)6-5-7-15(10-20)9-17-18(16)14(4)19(21)23-17/h6,9,12,16-18,20H,4-5,7-8,10-11H2,1-3H3/b13-6+,15-9-/t16-,17+,18+/m0/s1

0 references

InChIKey

RBLUWGIPFFSNQP-ZWQRHZEHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RBLUWGIPFFSNQP-ZWQRHZEHSA-N

(Q105233187)

(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-4-(2-methylpropoxy)-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

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