PubChemLite - (3beta,24s)-lanost-7,9(11)-diene-3,24,25-triol- (C30H50O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23-25,31-33H,9,11-13,15-18H2,1-8H3

InChIKey

BLTRPNNWBNKAEH-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-2,3-diol

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]+	459.38328	218.3
[M+Na]+	481.36522	221.7
[M-H]-	457.36872	217.9
[M+NH4]+	476.40982	237.8
[M+K]+	497.33916	215.9
[M+H-H2O]+	441.37326	214.3
[M+HCOO]-	503.37420	218.7
[M+CH3COO]-	517.38985	234.5
[M+Na-2H]-	479.35067	215.9
[M]+	458.37545	214.7
[M]-	458.37655	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.38328

218.3

[M+Na]+

481.36522

221.7

[M-H]-

457.36872

217.9

[M+NH4]+

476.40982

237.8

[M+K]+

497.33916

215.9

[M+H-H2O]+

441.37326

214.3

[M+HCOO]-

503.37420

218.7

[M+CH3COO]-

517.38985

234.5

[M+Na-2H]-

479.35067

215.9

[M]+

458.37545

214.7

[M]-

458.37655

214.7

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

(3beta,24s)-lanost-7,9(11)-diene-3,24,25-triol-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe