(Q105142811)

English

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

chemical compound

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Statements

type of chemical entity

0 references

5,6,8a-Trimethyl-5-[2-(2-oxooxolan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

0 references

canonical SMILES

O=C(O)C1=CCCC2C1(C)CCC(C)C2(C)CCC3C(=O)OCC3

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isomeric SMILES

C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1CCOC1=O

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Rydingia limbata

1 reference

Two new diterpenoids from Ballota limbata.

Identifiers

InChI=1S/C20H30O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,13-14,16H,4,6-12H2,1-3H3,(H,21,22)/t13-,14+,16-,19+,20+/m1/s1

0 references

KLTOIXCFCZRIFD-QDKUENGFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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