(Q105161883)

English

3-[[(4aR,5S,6R,8aR)-5-[2-[(3R,5S)-5-hydroxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-3-oxopropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[[5-[2-(5-Hydroxyoxolan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

408.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₆O₆

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canonical SMILES

O=C(O)CC(=O)OCC1=CCCC2C1(C)CCC(C)C2(C)CCC3COC(O)C3

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isomeric SMILES

C[C@@H]1CC[C@@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1CO[C@H](O)C1

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found in taxon

Baccharis alaternoides

1 reference

stated in

Diterpenes from Baccharis species

Baccharis polyphylla

1 reference

stated in

Diterpenes from Baccharis species

Identifiers

InChI

InChI=1S/C23H36O6/c1-15-7-9-23(3)17(14-29-21(27)12-19(24)25)5-4-6-18(23)22(15,2)10-8-16-11-20(26)28-13-16/h5,15-16,18,20,26H,4,6-14H2,1-3H3,(H,24,25)/t15-,16-,18-,20+,22+,23+/m1/s1

0 references

InChIKey

MDPCJYDWRZUJJR-DZWNKGHESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MDPCJYDWRZUJJR-DZWNKGHESA-N

(Q105161883)

3-[[(4aR,5S,6R,8aR)-5-[2-[(3R,5S)-5-hydroxyoxolan-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-3-oxopropanoic acid

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