(Q105123378)

English

(3S,4aR,5S,6R,8aR)-5,6,8a-trimethyl-3-[(2R)-2-methylbutanoyl]oxy-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5,6,8a-trimethyl-3-(2-methylbutanoyloxy)-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

432.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₆

0 references

canonical SMILES

O=C1OCC(=C1)CCC2(C)C(C)CCC3(C(=CC(OC(=O)C(C)CC)CC32)C(=O)O)C

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]2C1

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found in taxon

Pulicaria wightiana

1 reference

stated in

A Benzofuranoid and Two Clerodane Diterpenoids fromPulicaria wightiana

Identifiers

InChI

InChI=1S/C25H36O6/c1-6-15(2)23(29)31-18-12-19(22(27)28)25(5)9-7-16(3)24(4,20(25)13-18)10-8-17-11-21(26)30-14-17/h11-12,15-16,18,20H,6-10,13-14H2,1-5H3,(H,27,28)/t15-,16-,18-,20-,24+,25+/m1/s1

0 references

InChIKey

IZQKVMZQVWVMJA-ZYYFDNBFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZQKVMZQVWVMJA-ZYYFDNBFSA-N

(Q105123378)

(3S,4aR,5S,6R,8aR)-5,6,8a-trimethyl-3-[(2R)-2-methylbutanoyl]oxy-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Statements

Identifiers

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