CID 6476317

Mc-05632

Structural Information

Molecular Formula
C32H46O8
SMILES
C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)CC4C(O4)(C[C@H](/C=C/C=C/5\CO[C@H]6[C@@]5(C(C=C([C@H]6OC)C)C(=O)O3)O)C)C)O[C@@H]1C
InChI
InChI=1S/C32H46O8/c1-18-8-7-9-22-17-36-28-27(35-6)20(3)12-25(32(22,28)34)29(33)37-24-13-23(14-26-30(5,15-18)40-26)39-31(16-24)11-10-19(2)21(4)38-31/h7-9,12,18-19,21,23-28,34H,10-11,13-17H2,1-6H3/b8-7+,22-9+/t18-,19-,21+,23-,24-,25?,26?,27+,28+,30?,31-,32+/m0/s1
InChIKey
IUAKMHWGCBHCKS-DCVNVJDFSA-N
Compound name
(4S,5'S,6R,6'R,8S,14R,15E,17E,21R,22R,25S)-25-hydroxy-22-methoxy-5',6',12,14,23-pentamethylspiro[3,7,11,20-tetraoxapentacyclo[16.6.1.14,8.010,12.021,25]hexacosa-15,17,23-triene-6,2'-oxane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.3193 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.32658 221.2
[M+Na]+ 581.30852 227.1
[M-H]- 557.31202 227.2
[M+NH4]+ 576.35312 223.8
[M+K]+ 597.28246 232.3
[M+H-H2O]+ 541.31656 219.7
[M+HCOO]- 603.31750 214.9
[M+CH3COO]- 617.33315 225.5
[M+Na-2H]- 579.29397 219.9
[M]+ 558.31875 224.1
[M]- 558.31985 224.1
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.