CID 21124472

Schembl5055953

Structural Information

Molecular Formula
C19H30O
SMILES
C[C@@]12CCC[C@H]1[C@@H]3CCC4CCC=C([C@@]4([C@H]3CC2)C)O
InChI
InChI=1S/C19H30O/c1-18-11-4-6-15(18)14-9-8-13-5-3-7-17(20)19(13,2)16(14)10-12-18/h7,13-16,20H,3-6,8-12H2,1-2H3/t13?,14-,15-,16-,18-,19-/m0/s1
InChIKey
WNWFENBGTAICPU-HQEMIIEJSA-N
Compound name
(8S,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

274.22968 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.236956 170.6
[M+Na]+ 297.218898 175.1
[M-H]- 273.222404 173.5
[M+NH4]+ 292.263503 194.7
[M+K]+ 313.192838 169.0
[M+H-H2O]+ 257.226940 164.1
[M+HCOO]- 319.227881 180.0
[M+CH3COO]- 333.243531 179.7
[M+Na-2H]- 295.204346 171.5
[M]+ 274.22913142 161.8
[M]- 274.23022858 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe