CID 168664647

Hes-tbs derivative

Structural Information

Molecular Formula
C38H66O4Si
SMILES
CCOC(=O)[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO[Si](C)(C)C(C)(C)C)O)C)C)C1CC(CC2)(C)C)C
InChI
InChI=1S/C38H66O4Si/c1-13-41-31(40)38-22-20-33(5,6)24-27(38)26-14-15-29-34(7)18-17-30(39)35(8,25-42-43(11,12)32(2,3)4)28(34)16-19-37(29,10)36(26,9)21-23-38/h14,27-30,39H,13,15-25H2,1-12H3/t27?,28?,29?,30-,34-,35-,36+,37+,38-/m0/s1
InChIKey
DKKHAXLYDSJVLD-FKTOTFABSA-N
Compound name
ethyl (4aS,6aS,6bR,9R,10S,12aR)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.48028 246.6
[M+Na]+ 637.46222 248.2
[M-H]- 613.46572 246.3
[M+NH4]+ 632.50682 263.6
[M+K]+ 653.43616 244.6
[M+H-H2O]+ 597.47026 237.6
[M+HCOO]- 659.47120 239.3
[M+CH3COO]- 673.48685 263.5
[M+Na-2H]- 635.44767 247.1
[M]+ 614.47245 243.7
[M]- 614.47355 243.7
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.