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]+ 449.253376 184.9
[M+Na]+ 471.235318 192.7
[M-H]- 447.238824 196.7
[M+NH4]+ 466.279923 200.9
[M+K]+ 487.209258 196.8
[M+H-H2O]+ 431.243360 183.7
[M+HCOO]- 493.244301 182.7
[M+CH3COO]- 507.259951 193.6
[M+Na-2H]- 469.220766 187.2
[M]+ 448.24555142 188.2
[M]- 448.24664858 188.2
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.