(Q105275300)

English

methyl (E)-5-[(1S,2R,4aR,8aR)-4a-(hydroxymethyl)-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoate

chemical compound

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Statements

type of chemical entity

0 references

Methyl 5-[4a-(hydroxymethyl)-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoate

1 reference

based on heuristic

inferred from SMILES

334.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₃

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canonical SMILES

O=C(OC)C=C(C)CCC1(C)C(C)CCC2(C(=CCCC21)C)CO

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isomeric SMILES

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

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Haplopappus deserticola

1 reference

Clerodane diterpenes from Haplopappus deserticola

Identifiers

InChI=1S/C21H34O3/c1-15(13-19(23)24-5)9-11-20(4)16(2)10-12-21(14-22)17(3)7-6-8-18(20)21/h7,13,16,18,22H,6,8-12,14H2,1-5H3/b15-13+/t16-,18-,20+,21+/m1/s1

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ULRMVTIMDXDHRY-BENVCIHDSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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