(Q105165745)

English

[(1S,2R,4aR,5R,8R,8aS)-5,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

402.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4aR,5R,8R,8aS)-5,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₄O₅

0 references

canonical SMILES

O=C(OC1C(CCC2(C)C(O)CCC(O)(C)C12)C(C)C)C=CC3=CC=C(O)C=C3

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isomeric SMILES

CC(C)[C@H]1CC[C@]2(C)[C@@H]([C@H]1OC(=O)/C=C/c1ccc(O)cc1)[C@](C)(O)CC[C@H]2O

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found in taxon

Verbesina virginica

1 reference

stated in

Two new eudesmane derivatives from Verbesina virginica

Identifiers

InChI

InChI=1S/C24H34O5/c1-15(2)18-11-13-23(3)19(26)12-14-24(4,28)22(23)21(18)29-20(27)10-7-16-5-8-17(25)9-6-16/h5-10,15,18-19,21-22,25-26,28H,11-14H2,1-4H3/b10-7+/t18-,19-,21+,22-,23+,24-/m1/s1

0 references

InChIKey

MJYKKLXXDFOCHW-UYQLHEEMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJYKKLXXDFOCHW-UYQLHEEMSA-N

(Q105165745)

[(1S,2R,4aR,5R,8R,8aS)-5,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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