(Q105368348)

English

1(2H)-phenanthrenone, 2-ethenyl-3,4,4b,5,6,7,8,8a,9,10-decahydro-10-hydroxy-2,4b,8,8-tetramethyl-, (2S,4bS,10S)-

chemical compound

In more languages

Statements

type of chemical entity

0 references

[7-[2-(Furan-3-yl)-2-hydroxyethyl]-11-hydroxy-13-methyl-8-oxospiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,3S,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-13-methyl-8-oxospiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

O=C(OC1CCC2C3(C(=O)OCC2(C(O)CC3C)C41OC4)CC(O)C5=COC=C5)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@]3(C[C@@H](O)c4ccoc4)C(=O)OC[C@]2([C@H](O)C[C@H]3C)[C@@]12CO2

0 references

Teucrium tomentosum

3 references

Antifeedant neo-clerodanes from Teucrium tomentosum Heyne. (Labiatae)

A new clerodane diterpene with antifeedant activity from Teucrium tomentosum

Antifeedant neo-clerodanes from Teucrium tomentosum Heyne. (Labiatae)

Teucrium wightii

2 references

Antifeedant neo-clerodanes from Teucrium tomentosum Heyne. (Labiatae)

A new clerodane diterpene with antifeedant activity from Teucrium tomentosum

Identifiers

InChI=1S/C22H28O8/c1-12-7-17(25)21-10-28-19(26)20(12,8-15(24)14-5-6-27-9-14)16(21)3-4-18(30-13(2)23)22(21)11-29-22/h5-6,9,12,15-18,24-25H,3-4,7-8,10-11H2,1-2H3/t12-,15-,16-,17-,18+,20-,21+,22-/m1/s1

0 references

YXZZVNUGSZFDMS-TZYYKWLLSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

YXZZVNUGSZFDMS-TZYYKWLLSA-N

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

YXZZVNUGSZFDMS-TZYYKWLLSA-N

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