(Q105126132)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

3-[5-[2-hydroxy-2,5,8a-trimethyl-5-(3-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=C(C)C

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isomeric SMILES

CC(C)=CC(=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/c1-19(2)16-24(31)35-18-26(4)12-7-13-27(5)21(26)10-14-28(6,33)22(27)9-8-20(3)11-15-34-25(32)17-23(29)30/h16,20-22,33H,7-15,17-18H2,1-6H3,(H,29,30)/t20-,21+,22-,26+,27+,28-/m0/s1

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InChIKey

JEJOOPFXFBJLAW-PHAPCJRYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105126132)

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

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Identifiers

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