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 218.8
[M+Na]+ 479.38595 221.0
[M-H]- 455.38945 218.8
[M+NH4]+ 474.43055 238.7
[M+K]+ 495.35989 214.2
[M+H-H2O]+ 439.39399 213.7
[M+HCOO]- 501.39493 219.4
[M+CH3COO]- 515.41058 237.5
[M+Na-2H]- 477.37140 212.1
[M]+ 456.39618 213.0
[M]- 456.39728 213.0
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.