(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxaldehyde (Q27166173)

CID27806705 (English)

9 October 2016

chemical formula

C₂₁H₃₂O₃

1 reference

CID27806705 (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(C(=O)C4)C=O)C

1 reference

CID27806705 (English)

9 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC(C(=O)C4)C=O)C

1 reference

CID27806705 (English)

InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12-17,24H,4-11H2,1-3H3/t13?,14-,15+,16-,17-,19-,20-,21-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CID27806705 (English)

DLZUBMGMHUNDLF-CVSXEEBHSA-N

9 October 2016

InChIKey

2 references

CID27806705 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CID27806705 (English)

matched by identifier from

9 October 2016

InChIKey

DLZUBMGMHUNDLF-CVSXEEBHSA-N

ChEBI ID

94345

mapping relation type

2 references

(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxaldehyde (English)