(Q27106993)

English

Isomontanolide

chemical compound

In more languages

Statements

type of chemical entity

0 references

guaiane sesquiterpenoid

0 references

406.199153±0 dalton

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

stereoisomer of

[(3S,3aR,4S,6S,6aS,9aS,9bS)-3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,3aR,4S,6S,6aS,9aS,9bS)-3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,3aR,4R,6S,6aS,9aS,9bS)-3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₇

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

canonical SMILES

CC=C(C)C(=O)OC1CC(C2CC=C(C2C3C1C(C(=O)O3)(C)OC(=O)C)C)(C)O

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

isomeric SMILES

C/C=C(/C)\C(=O)O[C@H]1C[C@]([C@H]2CC=C([C@H]2[C@H]3[C@@H]1[C@](C(=O)O3)(C)OC(=O)C)C)(C)O

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

Laserpitium siler

2 references

On terpenes. CCXIV. The structure of two sesquiterpenic lactones, isomontanolide and acetylisomontanolide from Laserpitium siler L.

Components of the extract from the underground parts of Laserpitium siler L. of slovenian origin, mainly sesquiterpenic lactones

Siler garganicum

1 reference

Sesquiterpene lactones from Laserpitium garganicum

Identifiers

InChI=1S/C22H30O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h7-8,14-18,26H,9-10H2,1-6H3/b11-7-/t14-,15-,16+,17+,18-,21-,22-/m0/s1

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

LCVDISRHEKGNOL-TVCRMXSMSA-N

2 references

language of work or name

Isomontanolide (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

Isomontanolide (English)

5 October 2016

LCVDISRHEKGNOL-TVCRMXSMSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=38114-47-5

1 reference

language of work or name

(3S,3aR,4S,6S,6aS,9aS,9bS)-3-Acetoxy-6-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate (English)

5 October 2016

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

mapping relation type

2 references

language of work or name

Isomontanolide (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C22H30O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h7-8,14-18,26H,9-10H2,1-6H3/b11-7-/t14-,15-,16+,17+,18-,21-,22-/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID301317281

1 reference

matched by identifier from

LCVDISRHEKGNOL-TVCRMXSMSA-N

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

1 reference

language of work or name

Isomontanolide (English)

5 October 2016

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