(Q105305224)

English

[(1R,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(13S)-13-Hydroxy-19-acetoxylabda-8(20),14-diene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₃

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C(C(=C)CCC12)CCC(O)(C=C)C)C

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isomeric SMILES

C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]12C

0 references

1 reference

Triterpenes from the seed of Abies firma

Identifiers

InChI=1S/C22H36O3/c1-7-21(5,24)14-11-18-16(2)9-10-19-20(4,15-25-17(3)23)12-8-13-22(18,19)6/h7,18-19,24H,1-2,8-15H2,3-6H3/t18-,19-,20-,21-,22+/m0/s1

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WHCFTASMFFLYLQ-KNOXWWKRSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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