(Q105278638)

English

(E)-5-[(3S,6aR,7S,8R,10aS)-3-methoxy-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-7-yl]-3-methylpent-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(3-Methoxy-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-7-yl)-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

348.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₄

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canonical SMILES

O=C(O)C=C(C)CCC1(C)C(C)CCC23C(=CCCC21)C(OC)OC3

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isomeric SMILES

CO[C@H]1OC[C@@]23CC[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)O)[C@H]2CCC=C13

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C21H32O4/c1-14(12-18(22)23)8-10-20(3)15(2)9-11-21-13-25-19(24-4)16(21)6-5-7-17(20)21/h6,12,15,17,19H,5,7-11,13H2,1-4H3,(H,22,23)/b14-12+/t15-,17-,19+,20+,21-/m1/s1

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InChIKey

UTAJEJCDJVHKET-LLRXMOEMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UTAJEJCDJVHKET-LLRXMOEMSA-N

(Q105278638)

(E)-5-[(3S,6aR,7S,8R,10aS)-3-methoxy-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-7-yl]-3-methylpent-2-enoic acid

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