CID 172429315

Chebi:232484

Structural Information

Molecular Formula
C30H50O4
SMILES
C[C@H](C(C)C)[C@]1(CC[C@@]2(C3=C(CC[C@]2([C@@H]1C(=O)O)C)[C@]4(C[C@H]([C@@H](C([C@@H]4CC3)(C)C)O)O)C)C)C
InChI
InChI=1S/C30H50O4/c1-17(2)18(3)27(6)14-15-29(8)20-10-11-22-26(4,5)24(32)21(31)16-28(22,7)19(20)12-13-30(29,9)23(27)25(33)34/h17-18,21-24,31-32H,10-16H2,1-9H3,(H,33,34)/t18-,21-,22+,23-,24+,27-,28-,29-,30+/m1/s1
InChIKey
GQYGAAYZUOAUGM-YHRBPPEESA-N
Compound name
(1R,2R,4aS,6aR,8R,9R,10aS,12aS)-8,9-dihydroxy-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-3,4,5,6,6a,8,9,10,11,12-decahydro-1H-chrysene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.3709 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.37818 213.5
[M+Na]+ 497.36012 217.6
[M-H]- 473.36362 212.8
[M+NH4]+ 492.40472 232.5
[M+K]+ 513.33406 213.7
[M+H-H2O]+ 457.36816 208.9
[M+HCOO]- 519.36910 211.0
[M+CH3COO]- 533.38475 240.1
[M+Na-2H]- 495.34557 210.2
[M]+ 474.37035 208.6
[M]- 474.37145 208.6
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.