CID 11477133

(24s)-24,25-dihydroxysunpollenol

Structural Information

Molecular Formula
C30H54O4
SMILES
C[C@@H](CC[C@@H](C(C)(C)O)O)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CC[C@@]4([C@H]3CCCO4)C(C)(C)O)C)C)C
InChI
InChI=1S/C30H54O4/c1-20(11-12-24(31)25(2,3)32)21-13-15-29(8)22-14-16-30(26(4,5)33)23(10-9-19-34-30)27(22,6)17-18-28(21,29)7/h20-24,31-33H,9-19H2,1-8H3/t20-,21-,22-,23-,24-,27+,28-,29+,30+/m0/s1
InChIKey
YQDBUANZKYBHHI-YTXZDOLYSA-N
Compound name
(3S,6S)-6-[(1S,3aR,3bS,5aR,9aS,9bR,11aS)-5a-(2-hydroxypropan-2-yl)-3a,9b,11a-trimethyl-1,2,3,3b,4,5,7,8,9,9a,10,11-dodecahydroindeno[5,4-f]chromen-1-yl]-2-methylheptane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

478.40222 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.40950 222.4
[M+Na]+ 501.39144 222.5
[M-H]- 477.39494 221.0
[M+NH4]+ 496.43604 239.1
[M+K]+ 517.36538 219.5
[M+H-H2O]+ 461.39948 219.3
[M+HCOO]- 523.40042 217.6
[M+CH3COO]- 537.41607 235.7
[M+Na-2H]- 499.37689 222.2
[M]+ 478.40167 217.0
[M]- 478.40277 217.0
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

patents stripe