CID 165341885

102213-30-9

Structural Information

Molecular Formula
C25H36O7
SMILES
C[C@]12CCC3(C[C@]14[C@@H](O4)C[C@@H]5[C@@H]2C(=O)C[C@]6([C@H]5CC[C@@]6(C7(OCCO7)C)O)C)OCCO3
InChI
InChI=1S/C25H36O7/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/h15-16,18-19,27H,4-14H2,1-3H3/t15-,16-,18-,19+,20+,21-,24-,25+/m0/s1
InChIKey
HYKUUPCWDOAHIL-AFLKWZNBSA-N
Compound name
(1'S,2'R,7'R,9'S,11'S,12'S,15'R,16'S)-15'-hydroxy-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]-18'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2461 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.25338 195.1
[M+Na]+ 471.23532 203.1
[M+NH4]+ 466.27992 210.7
[M+K]+ 487.20926 196.5
[M-H]- 447.23882 210.7
[M+Na-2H]- 469.22077 200.1
[M]+ 448.24555 202.8
[M]- 448.24665 202.8
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.