CID 171392384

Protoglabretal

Structural Information

Molecular Formula
C30H48O5
SMILES
C[C@]12CC[C@@H](C([C@@H]1C[C@H]([C@@]3([C@@H]2CC[C@@]45[C@@]3(C4)CC[C@H]5[C@@H]6C[C@@H](OC6O)[C@H]7C(O7)(C)C)C)O)(C)C)O
InChI
InChI=1S/C30H48O5/c1-25(2)20-14-22(32)28(6)19(27(20,5)10-9-21(25)31)8-11-29-15-30(28,29)12-7-17(29)16-13-18(34-24(16)33)23-26(3,4)35-23/h16-24,31-33H,7-15H2,1-6H3/t16-,17-,18+,19+,20-,21-,22+,23-,24?,27+,28-,29+,30+/m0/s1
InChIKey
QMNOQUXZKUEYBM-QEMCERIBSA-N
Compound name
(1S,2R,3R,5R,7S,10S,11R,14R,15S)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.01,14.02,11.05,10]octadecane-3,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.3502 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.35748 179.0
[M+Na]+ 511.33942 189.2
[M+NH4]+ 506.38402 193.8
[M+K]+ 527.31336 183.1
[M-H]- 487.34292 198.0
[M+Na-2H]- 509.32487 189.7
[M]+ 488.34965 188.9
[M]- 488.35075 188.9
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.