(Q105112230)

English

(5S,6R,8R)-8-(hydroxymethyl)-3-methyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2,6-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

serrulatane diterpenoid

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mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

OC=1C(O)=C2C(=CC1C)C(C(O)CC2CO)C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@H](C)[C@H]1c2cc(C)c(O)c(O)c2[C@H](CO)C[C@H]1O

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found in taxon

Eremophila duttonii

1 reference

stated in

Antimicrobial compounds from the Australian desert plant Eremophila neglecta

Identifiers

InChI

InChI=1S/C20H30O4/c1-11(2)6-5-7-12(3)17-15-8-13(4)19(23)20(24)18(15)14(10-21)9-16(17)22/h6,8,12,14,16-17,21-24H,5,7,9-10H2,1-4H3/t12-,14-,16+,17-/m0/s1

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InChIKey

IFLDGBYQZQEKOH-SDNTUTLCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFLDGBYQZQEKOH-SDNTUTLCSA-N

(Q105112230)

(5S,6R,8R)-8-(hydroxymethyl)-3-methyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2,6-triol

Statements

Identifiers

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