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]+ 413.37778 208.3
[M+Na]+ 435.35972 212.4
[M-H]- 411.36322 210.7
[M+NH4]+ 430.40432 231.6
[M+K]+ 451.33366 204.5
[M+H-H2O]+ 395.36776 199.9
[M+HCOO]- 457.36870 209.3
[M+CH3COO]- 471.38435 213.9
[M+Na-2H]- 433.34517 203.6
[M]+ 412.36995 199.7
[M]- 412.37105 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.