CID 186176

33705-05-4

Structural Information

Molecular Formula
C26H34O8
SMILES
C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@@H]4CC(=C3)COC(=O)C)C)O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C26H34O8/c1-12-8-19-18(21(12)30)9-17(11-32-14(3)27)10-20-22-24(6,7)26(22,34-16(5)29)23(33-15(4)28)13(2)25(19,20)31/h8,10,13,18-20,22-23,31H,9,11H2,1-7H3/t13-,18-,19-,20+,22-,23-,25+,26-/m1/s1
InChIKey
FDCIAGIPBOEVMR-DGSZWRQFSA-N
Compound name
[(1R,2R,6R,10S,11R,13S,14R,15R)-13,14-diacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

474.22537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23265 200.6
[M+Na]+ 497.21459 208.3
[M-H]- 473.21809 206.5
[M+NH4]+ 492.25919 213.5
[M+K]+ 513.18853 208.6
[M+H-H2O]+ 457.22263 200.2
[M+HCOO]- 519.22357 208.7
[M+CH3COO]- 533.23922 238.7
[M+Na-2H]- 495.20004 199.2
[M]+ 474.22482 208.8
[M]- 474.22592 208.8
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.