(Q105154936)

English

[(2R,3S,4R,5R)-3,4,5-triacetyloxyoxan-2-yl] (1R,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,4,5-tris(acetyloxy)oxan-2-yl 1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

574.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₂O₁₀

0 references

canonical SMILES

O=C(OC1COC(OC(=O)C2CCC3(C(=CCCC3C2(C)CCC4=COC=C4)C)C)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(=O)[C@@H]2CC[C@@]3(C)C(C)=CCC[C@@H]3[C@@]2(C)CCc2ccoc2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O

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found in taxon

Baccharis boliviensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Baccharis bolivensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C31H42O10/c1-18-8-7-9-25-30(18,5)14-11-23(31(25,6)13-10-22-12-15-36-16-22)28(35)41-29-27(40-21(4)34)26(39-20(3)33)24(17-37-29)38-19(2)32/h8,12,15-16,23-27,29H,7,9-11,13-14,17H2,1-6H3/t23-,24 ,25-,26 ,27-,29 ,30-,31-/m0/s1

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InChIKey

LOUODIRRQBYCON-PTTUSGTOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOUODIRRQBYCON-PTTUSGTOSA-N

(Q105154936)

[(2R,3S,4R,5R)-3,4,5-triacetyloxyoxan-2-yl] (1R,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylate

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Identifiers

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