(Q27105910)

Bakkenolide A (English)

(3S)-1',3',3'a,4,4',5,5',6',7',7'abeta-Decahydro-3'abeta,4'beta-dimethyl-4-methylenespiro[furan-3(2H),2'-[2H]indene]-2-one

5 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R)-1',3',3'a,4,4',5,5',6',7',7'aalpha-Decahydro-3'abeta,4'beta-dimethyl-4-methylenespiro[furan-3(2H),2'-[2H]indene]-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₂

1 reference

Bakkenolide A (English)

18 November 2016

canonical SMILES

CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C

1 reference

Bakkenolide A (English)

18 November 2016

isomeric SMILES

C[C@H]1CCC[C@H]2[C@@]1(C[C@]3(C2)C(=C)COC3=O)C

1 reference

Analytic investigations of sesquiterpenes of Petasites albus (L.) GAERTN

Bakkenolide A (English)

18 November 2016

2 references

Sesquiterpenes from Petasites

Homogyne alpina

2 references

Neutral components of the extract from Homogine alpina (L.) CASS.

A Further Bakkenolide A Derivative from Homogyne alpina

Hertia cheirifolia

3 references

Eremophilenolides from Hertia cheirifolia

Spasmolytic and anti-inflammatory effects of constituents from Hertia cheirifolia.

Eremophilenolides from Hertia cheirifolia

Dolichorrhiza persica

1 reference

Germacrane esters from roots of Ligularia persica

Ligularia sagitta

1 reference

Sesquiterpenes and a diterpene lactone with an unusual carbon skeleton from Ligularia sagitta

Ligularia intermedia

2 references

Sesquiterpenes from Ligularia intermedia

Sesquiterpenes from Ligularia intermedia

Cacalia hastata L. (1753)

2 references

THE SESQUITERPENES OFCACALIASPECIES

Sesquiterpenes from Cacalia hastata

Parasenecio hastata

2 references

THE SESQUITERPENES OFCACALIASPECIES

Sesquiterpenes from Cacalia hastata

Ligularia dolichobotrys

1 reference

Coniferyl and sinapyl alcohol derivatives from Ligularia duciformis

Ligularia kanaitzensis

1 reference

Diversity of Ligularia kanaitzensis in sesquiterpenoid composition and neutral DNA sequences

Camptacra gracilis

1 reference

Isolation of new eremophilane-type sesquiterpenoids, subspicatins A–D and subspicatolide from Ligularia subspicata, and chemical and genetic diversity of the species

Ligularia subspicata

1 reference

Isolation of new eremophilane-type sesquiterpenoids, subspicatins A–D and subspicatolide from Ligularia subspicata, and chemical and genetic diversity of the species

Petasites frigidus var. palmatus

1 reference

Oplopane sesquiterpenes from Petasites palmatus

Identifiers

InChI

InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3/t10-,12+,14+,15+/m0/s1

1 reference

Bakkenolide A (English)

OVXAYHNZXBOVPV-QMGNLALYSA-N

18 November 2016

InChIKey

2 references

Bakkenolide A (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

19906-72-0

2 references

Global Substance Registration System

UNII

T86ZPP5FMQ

bakkenolide a (English)

OVXAYHNZXBOVPV-QMGNLALYSA-N

18 November 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=19906-72-0

1 reference

(3R,3a'R,4'S,7a'R)-3a',4'-Dimethyl-4-methylenedecahydrospiro[furan-3,2'-inden]-2-one (English)

18 November 2016

1 reference

Bakkenolide A (English)

18 November 2016

ChEBI ID

2984

mapping relation type

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

Bakkenolide A (English)

5 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

Bakkenolide A (English)

5 October 2016

1 reference

UNII

T86ZPP5FMQ

bakkenolide a (English)

18 November 2016

0 references

1 reference

Bakkenolide A (English)