CID 91820040

Preandiloid c

Structural Information

Molecular Formula
C25H30O5
SMILES
CC1=C2[C@](C[C@@H]3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C
InChI
InChI=1S/C25H30O5/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/h8-9,15-16H,7,10-12H2,1-6H3/t15-,16-,23-,24+,25-/m0/s1
InChIKey
ZKKBNTCAKNMLLQ-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),10,19-triene-7,9,18-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

410.20932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21660 195.0
[M+Na]+ 433.19854 206.1
[M+NH4]+ 428.24314 208.5
[M+K]+ 449.17248 194.3
[M-H]- 409.20204 199.7
[M+Na-2H]- 431.18399 197.9
[M]+ 410.20877 198.6
[M]- 410.20987 198.6
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.