CID 157010015

31-nordehydrolanosterol

Structural Information

Molecular Formula
C28H44O
SMILES
CC1[C@H](CC[C@]2([C@H]1CC=C3C2=CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC=C(C)C)C)C)O
InChI
InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,10,14,19-20,22-24,26,29H,7,9,11-13,15-17H2,1-6H3/t19-,20?,22-,23+,24+,26+,27-,28+/m1/s1
InChIKey
KOCCENHALVMYOT-UTTOWGKWSA-N
Compound name
(3S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.3392 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.34648 205.7
[M+Na]+ 419.32842 214.2
[M+NH4]+ 414.37302 217.4
[M+K]+ 435.30236 203.7
[M-H]- 395.33192 208.3
[M+Na-2H]- 417.31387 206.4
[M]+ 396.33865 207.9
[M]- 396.33975 207.9
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.