(Q104917047)

English

[(1R,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxymethyl)-1-[(3S)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4-Hydroxy-5-(hydroxymethyl)-1-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

382.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₈O₅

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canonical SMILES

O=C(OCC1CC(O)C2(C(=CCCC2C1(C)CCC(C)CCO)CO)C)C

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isomeric SMILES

CC(=O)OC[C@@H]1C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]2[C@@]1(C)CC[C@H](C)CCO

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Moquiniastrum paniculatum

1 reference

Dimeric sesquiterpene lactones and kolavane derivatives from Gochnatia paniculata

Identifiers

InChI=1S/C22H38O5/c1-15(9-11-23)8-10-21(3)18(14-27-16(2)25)12-20(26)22(4)17(13-24)6-5-7-19(21)22/h6,15,18-20,23-24,26H,5,7-14H2,1-4H3/t15-,18-,19+,20-,21-,22-/m0/s1

0 references

AQSSUGKCWXLUFO-VLUICMSQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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