(Q27138383)

CHEBI:70044 (English)

7 October 2016

chemical formula

C₂₁H₂₈O

1 reference

CHEBI:70044 (English)

7 October 2016

canonical SMILES

CC12CCC3C(C1CCC2C=C)CCC4=CC(=O)C=CC34C

1 reference

CHEBI:70044 (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C=C)CCC4=CC(=O)C=C[C@]34C

1 reference

Carijodienone from the octocoral Carijoa multiflora. A spiropregnane-based steroid.

CHEBI:70044 (English)

7 October 2016

2 references

stated in

Carijenone, a novel class of bicyclic prostanoid from the eastern Pacific octocoral Carijoa multiflora

Identifiers

InChI

InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1

1 reference

CHEBI:70044 (English)

KFTYFBOHSUEIEJ-NWSAAYAGSA-N

7 October 2016

InChIKey

2 references

CHEBI:70044 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1,4,20-pregnatrien-3-one (English)

7 October 2016

2 references

CHEBI:70044 (English)

matched by identifier from

7 October 2016

InChIKey

KFTYFBOHSUEIEJ-NWSAAYAGSA-N

ChEBI ID

70044

mapping relation type

2 references

Pregna-1,4,20-trien-3-one (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1

1 reference