(Q104969630)

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 (Z)-2-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 2-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

0 references

canonical SMILES

O=C(OCC1(C)CCCC2(C)C(CCC(C)CCO)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)CCO)[C@@](C)(O)CC[C@H]12

0 references

found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C25H44O4/c1-7-19(3)22(27)29-17-23(4)13-8-14-24(5)20(23)11-15-25(6,28)21(24)10-9-18(2)12-16-26/h7,18,20-21,26,28H,8-17H2,1-6H3/b19-7-/t18-,20+,21-,23+,24+,25-/m0/s1

0 references

InChIKey

CSXQRUZQGRCJDJ-ONSJUYEYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSXQRUZQGRCJDJ-ONSJUYEYSA-N

(Q104969630)

[(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 (Z)-2-methylbut-2-enoate

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