(Q105236105)

English

[(1S,2R,3R,4aR,5S,7S,8aR)-7-acetyloxy-2-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-acetyloxy-2-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C(OC1C(O)C(C(=C)C)CC2(C)C(C)CC(OC(=O)C)CC12)C(=CC)C

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isomeric SMILES

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

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found in taxon

Euryops imbricatus

1 reference

stated in

Neue furanoeremophilane und andere sesquiterpene aus vertretern der gattung Euryops

Euryops lateriflorus

2 references

stated in

Neue furanoeremophilane und andere sesquiterpene aus vertretern der gattung Euryops

stated in

Natürlich vorkommende Terpen-Derivate, XXXIX. Über die Inhaltsstoffe der GattungEuryops

Identifiers

InChI

InChI=1S/C22H34O5/c1-8-13(4)21(25)27-20-18-10-16(26-15(6)23)9-14(5)22(18,7)11-17(12(2)3)19(20)24/h8,14,16-20,24H,2,9-11H2,1,3-7H3/b13-8-/t14-,16-,17+,18-,19+,20-,22+/m0/s1

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InChIKey

RGVQZYBZSGABFO-CONJAPMOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGVQZYBZSGABFO-CONJAPMOSA-N

(Q105236105)

[(1S,2R,3R,4aR,5S,7S,8aR)-7-acetyloxy-2-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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