(Q105216995)

English

(Z)-2-[2-[(1S,3R,4R,5S,8R,9R)-8-hydroxy-4-(hydroxymethyl)-3,9-dimethyl-10-oxatricyclo[7.2.1.01,5]dodecan-4-yl]ethyl]but-2-ene-1,4-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-[8-Hydroxy-4-(hydroxymethyl)-3,9-dimethyl-10-oxatricyclo[7.2.1.01,5]dodecan-4-yl]ethyl]but-2-ene-1,4-diol

1 reference

based on heuristic

inferred from SMILES

(2E)-2-{2-[8-hydroxy-4-(hydroxymethyl)-3,9-dimethyl-10-oxatricyclo[7.2.1.0¹,⁵]dodecan-4-yl]ethyl}but-2-ene-1,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

354.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₅

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canonical SMILES

OCC=C(CO)CCC1(CO)C(C)CC23COC(C)(C2)C(O)CCC31

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isomeric SMILES

C[C@@H]1C[C@]23CO[C@](C)(C2)[C@H](O)CC[C@@H]3[C@@]1(CO)CC/C(=C/CO)CO

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found in taxon

Portulaca grandiflora

1 reference

stated in

Diterpenoid congeners of portulal in Portulaca grandiflora Hook.

Identifiers

InChI

InChI=1S/C20H34O5/c1-14-9-19-11-18(2,25-13-19)17(24)4-3-16(19)20(14,12-23)7-5-15(10-22)6-8-21/h6,14,16-17,21-24H,3-5,7-13H2,1-2H3/b15-6-/t14-,16+,17-,18-,19-,20-/m1/s1

0 references

InChIKey

PZJHKWPDHIXZDA-IUNGPDLBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PZJHKWPDHIXZDA-IUNGPDLBSA-N

1 reference

(Q105216995)

(Z)-2-[2-[(1S,3R,4R,5S,8R,9R)-8-hydroxy-4-(hydroxymethyl)-3,9-dimethyl-10-oxatricyclo[7.2.1.01,5]dodecan-4-yl]ethyl]but-2-ene-1,4-diol

Statements

Identifiers

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