CID 71301433

Einecs 305-325-4

Structural Information

Molecular Formula
C100H145O10Sb
SMILES
CC(C)C1=CC2=CC[C@H]3[C@]([C@@H]2CC1)(CCC[C@@]3(C)C(=O)O[Sb](OC(=O)[C@@]4(CCC[C@@]5([C@@H]4CC=C6[C@H]5CCC(=C6)C(C)C)C)C)(OC(=O)[C@@]7(CCC[C@@]8([C@@H]7CC=C9[C@H]8CCC(=C9)C(C)C)C)C)(OC(=O)[C@@]1(CCC[C@@]2([C@@H]1CC=C1[C@H]2CCC(=C1)C(C)C)C)C)OC(=O)[C@@]1(CCC[C@@]2([C@@H]1CC=C1[C@H]2CCC(=C1)C(C)C)C)C)C
InChI
InChI=1S/5C20H30O2.Sb/c5*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h5*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;;;;+5/p-5/t5*16-,17+,19+,20-;/m11111./s1
InChIKey
UXJFGOYZGFESOH-OKAOYMNUSA-I
Compound name
[tetrakis[[(1R,4aS,4bS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy]-lambda5-stibanyl] (1R,4aS,4bS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1626.9875 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1627.994776 470.0
[M+Na]+ 1649.976718 473.0
[M-H]- 1625.980224 472.7
[M+NH4]+ 1645.021323 470.6
[M+K]+ 1665.950658 452.3
[M+H-H2O]+ 1609.984760 450.6
[M+HCOO]- 1671.985701 467.5
[M+CH3COO]- 1686.001351 465.3
[M+Na-2H]- 1647.962166 479.3
[M]+ 1626.98695142 491.6
[M]- 1626.98804858 491.6
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.