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]+ 475.378176 213.5
[M+Na]+ 497.360118 217.6
[M-H]- 473.363624 212.8
[M+NH4]+ 492.404723 232.5
[M+K]+ 513.334058 213.7
[M+H-H2O]+ 457.368160 208.9
[M+HCOO]- 519.369101 211.0
[M+CH3COO]- 533.384751 240.1
[M+Na-2H]- 495.345566 210.2
[M]+ 474.37035142 208.6
[M]- 474.37144858 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.