5alpha-lanosta-7,9(11)-diene-3beta,24,25,26-tetraol (C30H50O4)

Structural Information

Molecular Formula

SMILES

CC(CCC(C(C)(CO)O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C

InChI

InChI=1S/C30H50O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3

InChIKey

VMEFPSOTFFVAQJ-UHFFFAOYSA-N

Compound name

6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-1,2,3-triol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	475.37818	222.1
[M+Na]+	497.36012	224.9
[M-H]-	473.36362	220.2
[M+NH4]+	492.40472	240.2
[M+K]+	513.33406	219.3
[M+H-H2O]+	457.36816	218.6
[M+HCOO]-	519.36910	221.1
[M+CH3COO]-	533.38475	234.6
[M+Na-2H]-	495.34557	219.9
[M]+	474.37035	218.4
[M]-	474.37145	218.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.37818

222.1

[M+Na]+

497.36012

224.9

[M-H]-

473.36362

220.2

[M+NH4]+

492.40472

240.2

[M+K]+

513.33406

219.3

[M+H-H2O]+

457.36816

218.6

[M+HCOO]-

519.36910

221.1

[M+CH3COO]-

533.38475

234.6

[M+Na-2H]-

495.34557

219.9

[M]+

474.37035

218.4

[M]-

474.37145

218.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5alpha-lanosta-7,9(11)-diene-3beta,24,25,26-tetraol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe