(Q105273880)

English

3-O-[(E)-5-[(1S,2R,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] 1-O-methyl propanedioate

chemical compound

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type of chemical entity

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subclass of

3-O-[5-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl] 1-O-methyl propanedioate

1 reference

based on heuristic

inferred from SMILES

mass

390.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₈O₄

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canonical SMILES

O=C(OC)CC(=O)OCC=C(C)CCC1(C)C(C)CCC2(C(=CCCC21)C)C

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isomeric SMILES

COC(=O)CC(=O)OC/C=C(\C)CC[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C

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found in taxon

Parentucellia latifolia

1 reference

stated in

Terpenoid compounds from Parentucellia latifolia

Identifiers

InChI

InChI=1S/C24H38O4/c1-17(12-15-28-22(26)16-21(25)27-6)10-13-23(4)19(3)11-14-24(5)18(2)8-7-9-20(23)24/h8,12,19-20H,7,9-11,13-16H2,1-6H3/b17-12+/t19-,20+,23+,24+/m1/s1

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InChIKey

UJDMNQIHHMWROA-BUIIIZTASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UJDMNQIHHMWROA-BUIIIZTASA-N

(Q105273880)

3-O-[(E)-5-[(1S,2R,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] 1-O-methyl propanedioate

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