(Q105279302)

English

(Z)-5-[(1R,4aS,7S,8aS)-7-[(2S,3R)-2-hydroxy-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxybutanoyl]oxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[7-[2-Hydroxy-2-methyl-3-(2-methylbut-2-enoyloxy)butanoyl]oxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

518.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₇

0 references

canonical SMILES

O=C(O)C=C(C)CCC1C(=CCC2C(C)(C)CC(OC(=O)C(O)(C)C(OC(=O)C(=CC)C)C)CC12C)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@H]1CC(C)(C)[C@@H]2CC=C(C)[C@@H](CC/C(C)=C\C(=O)O)[C@@]2(C)C1

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found in taxon

Brickellia laciniata

1 reference

stated in

Diterpenes from Fleischmannia hymenophylla and Brickellia laciniata

Identifiers

InChI

InChI=1S/C30H46O7/c1-10-19(3)26(33)36-21(5)30(9,35)27(34)37-22-16-28(6,7)24-14-12-20(4)23(29(24,8)17-22)13-11-18(2)15-25(31)32/h10,12,15,21-24,35H,11,13-14,16-17H2,1-9H3,(H,31,32)/b18-15-,19-10-/t21-,22+,23-,24+,29-,30+/m1/s1

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InChIKey

UUFZZUXSXSALBM-AGWREXTRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UUFZZUXSXSALBM-AGWREXTRSA-N

(Q105279302)

(Z)-5-[(1R,4aS,7S,8aS)-7-[(2S,3R)-2-hydroxy-2-methyl-3-[(Z)-2-methylbut-2-enoyl]oxybutanoyl]oxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

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