(Q104985685)

English

[(1S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3S)-5-hydroxy-3-methylpentyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-hydroxy-5-(5-hydroxy-3-methylpentyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

408.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₄O₄

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C(CCC(C)CCO)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)CCO)[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/C25H44O4/c1-18(2)16-22(27)29-17-23(4)12-7-13-24(5)20(23)10-14-25(6,28)21(24)9-8-19(3)11-15-26/h16,19-21,26,28H,7-15,17H2,1-6H3/t19-,20+,21-,23+,24+,25-/m0/s1

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InChIKey

DNPNGMPLSLKKCQ-AHSVDLCGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104985685)

[(1S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3S)-5-hydroxy-3-methylpentyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate

Statements

Identifiers

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