CID 168007609

32-hydroxyeburicol

Structural Information

Molecular Formula
C31H52O2
SMILES
C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)CO
InChI
InChI=1S/C31H52O2/c1-20(2)21(3)9-10-22(4)23-14-18-31(19-32)25-11-12-26-28(5,6)27(33)15-16-29(26,7)24(25)13-17-30(23,31)8/h20,22-23,26-27,32-33H,3,9-19H2,1-2,4-8H3/t22-,23-,26+,27+,29-,30-,31-/m1/s1
InChIKey
FLUVBAXFCMTFEM-VAPIERHISA-N
Compound name
(3S,5R,10S,13R,14S,17R)-14-(hydroxymethyl)-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.39673 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.40401 217.7
[M+Na]+ 479.38595 223.0
[M+NH4]+ 474.43055 230.3
[M+K]+ 495.35989 210.9
[M-H]- 455.38945 218.4
[M+Na-2H]- 477.37140 218.8
[M]+ 456.39618 219.0
[M]- 456.39728 219.0
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.