CID 162422384

Chebi:188920

Structural Information

Molecular Formula
C27H48O
SMILES
CC(C)CC[C@@H](C(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)O
InChI
InChI=1S/C27H48O/c1-18(2)9-14-25(28)19(3)22-12-13-23-21-11-10-20-8-6-7-16-26(20,4)24(21)15-17-27(22,23)5/h18-25,28H,6-17H2,1-5H3/t19?,20?,21?,22?,23?,24?,25-,26?,27?/m0/s1
InChIKey
OLYXNPLLTCKGPC-SZMCTDDBSA-N
Compound name
(3S)-2-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.3705 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.37778 205.8
[M+Na]+ 411.35972 211.4
[M+NH4]+ 406.40432 217.7
[M+K]+ 427.33366 202.0
[M-H]- 387.36322 207.9
[M+Na-2H]- 409.34517 205.1
[M]+ 388.36995 207.3
[M]- 388.37105 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.