(Q27166899)

MLS000859898 (English)

10 October 2016

chemical formula

C₂₂H₂₇NO₂

1 reference

MLS000859898 (English)

10 October 2016

canonical SMILES

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

1 reference

MLS000859898 (English)

10 October 2016

isomeric SMILES

CC12CCC3C(C1CC[C@]2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

1 reference

MLS000859898 (English)

InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16?,17?,18?,20?,21?,22-/m0/s1

10 October 2016

Identifiers

InChI

1 reference

MLS000859898 (English)

POZRVZJJTULAOH-ZIKCMSSPSA-N

10 October 2016

InChIKey

2 references

MLS000859898 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R)-1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol (English)

10 October 2016

1 reference

(1R)-1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol (English)

10 October 2016

1 reference

MLS000859898 (English)

10 October 2016

ChEBI ID

95119

mapping relation type

1 reference

LSM-6384 (English)

10 October 2016

1 reference