CID 165340305

Dtxsid101113023

Structural Information

Molecular Formula
C25H38O7
SMILES
C[C@]12CCC3(C[C@]14[C@@H](O4)C[C@@H]5[C@@H]2[C@H](C[C@]6([C@H]5CC[C@@]6(C7(OCCO7)C)O)C)O)OCCO3
InChI
InChI=1S/C25H38O7/c1-20-6-7-23(30-10-11-31-23)14-24(20)18(32-24)12-15-16-4-5-25(27,22(3)28-8-9-29-22)21(16,2)13-17(26)19(15)20/h15-19,26-27H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20+,21-,24-,25+/m0/s1
InChIKey
IRACOROOUCTIEJ-DVHRPUTNSA-N
Compound name
(1'S,2'R,7'R,9'S,11'S,12'S,15'R,16'S,18'S)-2',16'-dimethyl-15'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,5'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-15',18'-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.26175 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.26903 185.1
[M+Na]+ 473.25097 192.4
[M-H]- 449.25447 195.7
[M+NH4]+ 468.29557 200.6
[M+K]+ 489.22491 196.3
[M+H-H2O]+ 433.25901 184.3
[M+HCOO]- 495.25995 181.4
[M+CH3COO]- 509.27560 193.3
[M+Na-2H]- 471.23642 187.4
[M]+ 450.26120 187.8
[M]- 450.26230 187.8
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.