22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one (Q27137996)

CHEBI:69653 (English)

7 October 2016

chemical formula

C₂₇H₃₅NO₂

1 reference

CHEBI:69653 (English)

7 October 2016

canonical SMILES

CC1CC2C3(O2)C(C4C(N3C1)CC5C4(CC=C6C5CCC7=CC(=O)C=CC76C)C)C

1 reference

CHEBI:69653 (English)

7 October 2016

isomeric SMILES

C[C@H]1C[C@@H]2[C@]3(O2)[C@H]([C@H]4[C@@H](N3C1)C[C@@H]5[C@@]4(CC=C6[C@H]5CCC7=CC(=O)C=C[C@@]76C)C)C

1 reference

Antiophidic solanidane steroidal alkaloids from Solanum campaniforme

CHEBI:69653 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C27H35NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1

1 reference

CHEBI:69653 (English)

WMTRIRCBLPHXBU-IWDSGUOSSA-N

7 October 2016

InChIKey

2 references

CHEBI:69653 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(23alpha)-22,23-Epoxysolanida-1,4,9(11)-trien-3-one (English)

7 October 2016

2 references

CHEBI:69653 (English)

matched by identifier from

7 October 2016

InChIKey

WMTRIRCBLPHXBU-IWDSGUOSSA-N

ChEBI ID

69653

mapping relation type

2 references

22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H35NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1

1 reference