(Q105206310)

English

5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 5-[2-(furan-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

346.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₄

0 references

canonical SMILES

O=C(OC)C1=CCCC2C1(C)C(O)CC(C)C2(C)CCC3=COC=C3

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isomeric SMILES

COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)C[C@H](O)[C@@]12C

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found in taxon

Nidorella elliotii

1 reference

stated in

Clerodanes, seco-clerodanes, geranyl geraniol derivatives and unusual sesquiterpenes from Conyza hypoleuca

Pulicaria wightiana

2 references

stated in

Clerodane diterpenoids from Pulicaria wightiana

stated in

A Benzofuranoid and Two Clerodane Diterpenoids fromPulicaria wightiana

Identifiers

InChI

InChI=1S/C21H30O4/c1-14-12-18(22)21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)10-8-15-9-11-25-13-15/h6,9,11,13-14,17-18,22H,5,7-8,10,12H2,1-4H3/t14-,17-,18+,20+,21+/m1/s1

0 references

InChIKey

PDCJRPDIEWEPHE-WTLMAMESSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PDCJRPDIEWEPHE-WTLMAMESSA-N

1 reference

(Q105206310)

5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester

Statements

Identifiers

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