(Q27166485)

BRD-K59850506-001-01-0 (English)

9 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₂

1 reference

BRD-K59850506-001-01-0 (English)

9 October 2016

canonical SMILES

CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O

1 reference

BRD-K59850506-001-01-0 (English)

9 October 2016

isomeric SMILES

CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(C#C)O

1 reference

BRD-K59850506-001-01-0 (English)

InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19-,20+,21+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-K59850506-001-01-0 (English)

BJJXHLWLUDYTGC-CGXNFDGLSA-N

9 October 2016

InChIKey

2 references

BRD-K59850506-001-01-0 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K59850506-001-01-0 (English)

matched by identifier from

9 October 2016

InChIKey

BJJXHLWLUDYTGC-CGXNFDGLSA-N

ChEBI ID

94675

mapping relation type

2 references

(8S,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one (English)