CID 171116481

Eudoraenol

Structural Information

Molecular Formula
C29H48O
SMILES
CC(C)[C@@H]1CC[C@H]2[C@]1(CC[C@@]3(C2=CC[C@@H]4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
InChI
InChI=1S/C29H48O/c1-18(2)19-8-9-20-21-10-11-23-22(28(21,6)17-16-27(19,20)5)12-13-24-26(3,4)25(30)14-15-29(23,24)7/h10,18-20,22-25,30H,8-9,11-17H2,1-7H3/t19-,20+,22-,23+,24-,25-,27-,28+,29+/m0/s1
InChIKey
HHVVWYASWLBJFS-HJRZGONWSA-N
Compound name
(3S,3aS,5aS,5bS,7aR,9S,11aR,11bR,13bS)-3a,5a,8,8,11a-pentamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,9,10,11,11b,12,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.3705 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.377776 208.3
[M+Na]+ 435.359718 212.4
[M-H]- 411.363224 210.7
[M+NH4]+ 430.404323 231.6
[M+K]+ 451.333658 204.5
[M+H-H2O]+ 395.367760 199.9
[M+HCOO]- 457.368701 209.3
[M+CH3COO]- 471.384351 213.9
[M+Na-2H]- 433.345166 203.6
[M]+ 412.36995142 199.7
[M]- 412.37104858 199.7
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.