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 205.7
[M+Na]+ 465.37029 212.2
[M-H]- 441.37379 212.2
[M+NH4]+ 460.41489 222.8
[M+K]+ 481.34423 210.1
[M+H-H2O]+ 425.37833 201.1
[M+HCOO]- 487.37927 207.5
[M+CH3COO]- 501.39492 212.7
[M+Na-2H]- 463.35574 203.7
[M]+ 442.38052 206.9
[M]- 442.38162 206.9
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.