CID 91819922

Preandiloid b

Structural Information

Molecular Formula
C25H32O5
SMILES
CC1=C2[C@](C[C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C
InChI
InChI=1S/C25H32O5/c1-13-19(27)18-14(12-29-21(18)28)24(5)11-16-23(4)9-8-17(26)22(2,3)15(23)7-10-25(16,6)30-20(13)24/h15-16H,7-12H2,1-6H3/t15-,16-,23-,24+,25-/m0/s1
InChIKey
CALHDWXNCZWYDF-UVHKRSBMSA-N
Compound name
(1S,3R,13S,16R,21S)-3,10,13,17,17,21-hexamethyl-6,12-dioxapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-4(8),10-diene-7,9,18-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

412.22498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23226 196.5
[M+Na]+ 435.21420 206.6
[M+NH4]+ 430.25880 209.9
[M+K]+ 451.18814 195.1
[M-H]- 411.21770 201.0
[M+Na-2H]- 433.19965 198.6
[M]+ 412.22443 199.9
[M]- 412.22553 199.9
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.