CID 171037431

Chebi:229949

Structural Information

Molecular Formula
C30H50O2
SMILES
C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@]3([C@@]2(CC[C@@]4([C@H]3CC=C5[C@H]4CC[C@@H](C5(C)C)O)C)C)C
InChI
InChI=1S/C30H50O2/c1-19(9-14-25-27(4,5)32-25)20-15-16-30(8)23-12-10-21-22(11-13-24(31)26(21,2)3)28(23,6)17-18-29(20,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25+,28+,29-,30+/m1/s1
InChIKey
FKLMMFZHGLDEMF-CUGODZHQSA-N
Compound name
(3S,8R,9R,10S,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.38107 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 205.3
[M+Na]+ 465.37029 215.8
[M+NH4]+ 460.41489 221.3
[M+K]+ 481.34423 203.2
[M-H]- 441.37379 217.9
[M+Na-2H]- 463.35574 213.1
[M]+ 442.38052 212.6
[M]- 442.38162 212.6
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.