CID 150900

Andien-beta

Structural Information

Molecular Formula
C19H28O
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,5,9,14-17,20H,4,6-8,10-12H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
QVHPTAJAHUONLV-DYKIIFRCSA-N
Compound name
(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

177
Patents

272.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.221296 169.0
[M+Na]+ 295.203238 174.6
[M-H]- 271.206744 172.5
[M+NH4]+ 290.247843 193.4
[M+K]+ 311.177178 168.4
[M+H-H2O]+ 255.211280 162.5
[M+HCOO]- 317.212221 180.0
[M+CH3COO]- 331.227871 178.7
[M+Na-2H]- 293.188686 171.0
[M]+ 272.21347142 161.8
[M]- 272.21456858 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

No patent data available for this compound.