CID 6476309

Mc-05480

Structural Information

Molecular Formula
C32H46O8
SMILES
C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)CO)C(=O)O3)O)C)\C)O[C@@H]1C
InChI
InChI=1S/C32H46O8/c1-19-7-6-8-24-18-37-29-28(36-5)23(17-33)14-27(32(24,29)35)30(34)38-26-15-25(10-9-20(2)13-19)40-31(16-26)12-11-21(3)22(4)39-31/h6-9,14,19,21-22,25-29,33,35H,10-13,15-18H2,1-5H3/b7-6+,20-9+,24-8+/t19-,21-,22+,25+,26-,27?,28+,29+,31-,32+/m0/s1
InChIKey
JOZFTBFLFFGCEJ-RMKJOQFUSA-N
Compound name
(4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-24-hydroxy-22-(hydroxymethyl)-21-methoxy-5',6',11,13-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.3193 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.32658 235.2
[M+Na]+ 581.30852 238.3
[M-H]- 557.31202 238.5
[M+NH4]+ 576.35312 239.8
[M+K]+ 597.28246 239.7
[M+H-H2O]+ 541.31656 232.4
[M+HCOO]- 603.31750 232.0
[M+CH3COO]- 617.33315 238.4
[M+Na-2H]- 579.29397 231.1
[M]+ 558.31875 232.4
[M]- 558.31985 232.4
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.