CID 14213689

24s,28r-methylene-stigmast-5-en-3beta-ol

Structural Information

Molecular Formula
C30H50O
SMILES
C[C@@H]1C[C@@]1(CC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C(C)C
InChI
InChI=1S/C30H50O/c1-19(2)30(18-21(30)4)16-11-20(3)25-9-10-26-24-8-7-22-17-23(31)12-14-28(22,5)27(24)13-15-29(25,26)6/h7,19-21,23-27,31H,8-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1
InChIKey
SBYOCAVAULFQMS-NNTQYPLXSA-N
Compound name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-[(1S,2R)-2-methyl-1-propan-2-ylcyclopropyl]butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.38617 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.39345 208.2
[M+Na]+ 449.37539 211.4
[M-H]- 425.37889 213.1
[M+NH4]+ 444.41999 223.0
[M+K]+ 465.34933 206.2
[M+H-H2O]+ 409.38343 202.4
[M+HCOO]- 471.38437 210.6
[M+CH3COO]- 485.40002 213.6
[M+Na-2H]- 447.36084 202.0
[M]+ 426.38562 204.7
[M]- 426.38672 204.7
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.