(Q105264443)

English

3-[(3S)-5-[(1S,2S,4aS,5S,8aR)-2-hydroxy-2,5,8a-trimethyl-5-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[5-[2-hydroxy-2,5,8a-trimethyl-5-(2-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

494.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₇

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C(CCC(C)CCOC(=O)CC(=O)O)C(O)(C)CCC12)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC[C@H](C)CCOC(=O)CC(=O)O)[C@@](C)(O)CC[C@H]12

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C28H46O7/c1-7-20(3)25(32)35-18-26(4)13-8-14-27(5)21(26)11-15-28(6,33)22(27)10-9-19(2)12-16-34-24(31)17-23(29)30/h7,19,21-22,33H,8-18H2,1-6H3,(H,29,30)/b20-7-/t19-,21+,22-,26+,27+,28-/m0/s1

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InChIKey

SZWLIXDZSIBNOJ-ILDDZXLDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SZWLIXDZSIBNOJ-ILDDZXLDSA-N

(Q105264443)

3-[(3S)-5-[(1S,2S,4aS,5S,8aR)-2-hydroxy-2,5,8a-trimethyl-5-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-3-oxopropanoic acid

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