(Q105188578)

English

[(3R)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pentyl] docosanoate

chemical compound

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type of chemical entity

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subclass of

[5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pentyl] docosanoate

1 reference

based on heuristic

inferred from SMILES

mass

630.595096356 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₈O₃

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canonical SMILES

O=C(OCCC(CO)CCC1(C)C(C)CCC2(C(=CCCC21)C)C)CCCCCCCCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC[C@H](CO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12

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found in taxon

Symphyopappus reticulatus

1 reference

stated in

Thirteen kolavane derivatives from Symphyopappus species

Identifiers

InChI

InChI=1S/C42H78O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-40(44)45-34-31-38(35-43)30-33-42(5)37(3)29-32-41(4)36(2)26-25-27-39(41)42/h26,37-39,43H,6-25,27-35H2,1-5H3/t37-,38-,39+,41+,42+/m1/s1

0 references

InChIKey

OABMALDCHRBGES-UYZWCBRUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OABMALDCHRBGES-UYZWCBRUSA-N

(Q105188578)

[(3R)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pentyl] docosanoate

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