CID 24778507

1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol

Structural Information

Molecular Formula
C43H72O3
SMILES
C1CC2C(CC1CCCCCCCCOC[C@H](CO)OCCCCCCCCC3CCC4C(C3)C5C4C6C5CC6)C7C2C8C7CC8
InChI
InChI=1S/C43H72O3/c44-27-31(46-24-12-8-4-2-6-10-14-30-16-18-37-39(26-30)43-35-22-20-33(35)41(37)43)28-45-23-11-7-3-1-5-9-13-29-15-17-36-38(25-29)42-34-21-19-32(34)40(36)42/h29-44H,1-28H2/t29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?/m0/s1
InChIKey
LPTZAZYNWAEJDH-YVIZPHMZSA-N
Compound name
(2S)-2,3-bis[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.54816 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.55544 235.0
[M+Na]+ 659.53738 230.6
[M-H]- 635.54088 237.3
[M+NH4]+ 654.58198 223.6
[M+K]+ 675.51132 234.1
[M+H-H2O]+ 619.54542 219.2
[M+HCOO]- 681.54636 231.0
[M+CH3COO]- 695.56201 286.0
[M+Na-2H]- 657.52283 223.6
[M]+ 636.54761 251.4
[M]- 636.54871 251.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.