(Q82651535)

English

(1S,3'E,3a'S,6'R,8'S)-3'-Butylidene-8'-propyl-5',6,6',7-tetrahydro-3H,3'H-spiro[2-benzofuran-1,9'-[3a,6]ethano[2]benzofuran]-1',3(4'H)-dione

chemical compound

In more languages

default values for all languages

No label defined

No description defined

edit

Statements

instance of

type of chemical entity

0 references

subclass of

2'-butylidene-8'-propyl-6,7-dihydro-3'-oxaspiro[2-benzofuran-1,9'-tricyclo[5.2.2.0¹,⁵]undecan]-5'-ene-3,4'-dione

1 reference

based on heuristic

inferred from SMILES

mass

380.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-3'-[(Z)-Butylidene]-5'alpha-propyl-3'abeta,6'beta-ethano-6,7,3'a,6'-tetrahydrospiro[isobenzofuran-1(3H),4'(5'H)-isobenzofuran]-3,1'(3'H)-dione

1 reference

1 reference

C₂₄H₂₈O₄

0 references

canonical SMILES

O=C1OC(=CCCC)C23C1=CC(CC2)C(CCC)C43OC(=O)C=5C=CCCC54

0 references

isomeric SMILES

CCC/C=C/1\[C@]23CC[C@H](C=C2C(=O)O1)[C@@H]([C@]34C5=C(C=CCC5)C(=O)O4)CCC

0 references

found in taxon

Levisticum officinale

2 references

stated in

ChemInform Abstract: NEW CONSTITUENTS OF LEVISTICUM OFFICINALE KOCH

stated in

Neue Inhaltsstoffe vonLevisticum officinale Koch (Liebstöckel)

Angelica glauca

1 reference

stated in

Angeolide, a Novel Lactone fromAngelica glauca

Identifiers

InChI

InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11+/t15-,17+,23+,24+/m1/s1

0 references

InChIKey

DZMFTLLDUYBHLI-FSEWZPIJSA-N

0 references

CAS Registry Number

81957-73-5

1 reference

InChIKey

DZMFTLLDUYBHLI-FSEWZPIJSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=81957-73-5

PubChem CID

54607915

1 reference

matched by identifier from

InChIKey

DZMFTLLDUYBHLI-FSEWZPIJSA-N

ChEBI ID

175020

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11+/t15-,17+,23+,24+/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

DZMFTLLDUYBHLI-FSEWZPIJSA-N

DSSTOX compound identifier

0 references

0 references

2 references

inferred from InChIKey

matched by identifier from

InChIKey

DZMFTLLDUYBHLI-FSEWZPIJSA-N

(Q82651535)

(1S,3'E,3a'S,6'R,8'S)-3'-Butylidene-8'-propyl-5',6,6',7-tetrahydro-3H,3'H-spiro[2-benzofuran-1,9'-[3a,6]ethano[2]benzofuran]-1',3(4'H)-dione

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)