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]+ 489.357476 197.3
[M+Na]+ 511.339418 202.4
[M-H]- 487.342924 205.7
[M+NH4]+ 506.384023 206.5
[M+K]+ 527.313358 206.3
[M+H-H2O]+ 471.347460 198.2
[M+HCOO]- 533.348401 191.6
[M+CH3COO]- 547.364051 202.4
[M+Na-2H]- 509.324866 194.9
[M]+ 488.34965142 200.8
[M]- 488.35074858 200.8
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.