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 197.3
[M+Na]+ 511.33942 202.4
[M-H]- 487.34292 205.7
[M+NH4]+ 506.38402 206.5
[M+K]+ 527.31336 206.3
[M+H-H2O]+ 471.34746 198.2
[M+HCOO]- 533.34840 191.6
[M+CH3COO]- 547.36405 202.4
[M+Na-2H]- 509.32487 194.9
[M]+ 488.34965 200.8
[M]- 488.35075 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.