(Q105268522)

English

[5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-[(3,4,5-triacetyloxyoxan-2-yl)oxymethyl]pent-2-enyl] acetate

group of stereoisomers with the chemical formula C₃₃H₅₀O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

606.3403978 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₀O₁₀

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canonical SMILES

O=C(OCC=C(COC1OCC(OC(=O)C)C(OC(=O)C)C1OC(=O)C)CCC2(C)C(C)CCC3(C(=CCCC32)C)C)C

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found in taxon

Baccharis boliviensis

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stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C33H50O10/c1-20-10-9-11-28-32(20,7)15-12-21(2)33(28,8)16-13-26(14-17-38-22(3)34)18-39-31-30(43-25(6)37)29(42-24(5)36)27(19-40-31)41-23(4)35/h10,14,21,27-31H,9,11-13,15-19H2,1-8H3

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InChIKey

UAAAHAUBORUCMG-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UAAAHAUBORUCMG-UHFFFAOYSA-N

(Q105268522)

[5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-[(3,4,5-triacetyloxyoxan-2-yl)oxymethyl]pent-2-enyl] acetate

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Identifiers

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