CID 14219463

62462-35-5

Structural Information

Molecular Formula
C33H56O
SMILES
CC(CC(C)C(C)(C)C(=C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
InChI
InChI=1S/C33H56O/c1-21(2)29(5,6)23(4)20-22(3)24-14-18-33(11)26-12-13-27-30(7,8)28(34)16-17-31(27,9)25(26)15-19-32(24,33)10/h15,22-24,26-28,34H,1,12-14,16-20H2,2-11H3
InChIKey
CGINCLVPUDBIKV-UHFFFAOYSA-N
Compound name
4,4,10,13,14-pentamethyl-17-(4,5,5,6-tetramethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

468.4331 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.44038 220.4
[M+Na]+ 491.42232 222.6
[M-H]- 467.42582 221.6
[M+NH4]+ 486.46692 240.7
[M+K]+ 507.39626 216.3
[M+H-H2O]+ 451.43036 215.7
[M+HCOO]- 513.43130 220.2
[M+CH3COO]- 527.44695 243.7
[M+Na-2H]- 489.40777 214.5
[M]+ 468.43255 215.2
[M]- 468.43365 215.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe