PubChemLite - Dammara-20,24-dien-3 beta-ol (C30H50O)

Structural Information

Molecular Formula

SMILES

CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)C

InChI

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3

InChIKey

WZAMDSBJONFHAO-UHFFFAOYSA-N

Compound name

4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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]+	427.39345	211.1
[M+Na]+	449.37539	213.9
[M-H]-	425.37889	212.4
[M+NH4]+	444.41999	233.0
[M+K]+	465.34933	206.1
[M+H-H2O]+	409.38343	205.2
[M+HCOO]-	471.38437	213.2
[M+CH3COO]-	485.40002	233.0
[M+Na-2H]-	447.36084	204.9
[M]+	426.38562	203.5
[M]-	426.38672	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.39345

211.1

[M+Na]+

449.37539

213.9

[M-H]-

425.37889

212.4

[M+NH4]+

444.41999

233.0

[M+K]+

465.34933

206.1

[M+H-H2O]+

409.38343

205.2

[M+HCOO]-

471.38437

213.2

[M+CH3COO]-

485.40002

233.0

[M+Na-2H]-

447.36084

204.9

[M]+

426.38562

203.5

[M]-

426.38672

203.5

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

Dammara-20,24-dien-3 beta-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe