PubChemLite - 3beta-cucurbita-5,24-dien-3-ol (C30H50O)

Structural Information

Molecular Formula

SMILES

CC(CCC=C(C)C)C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)O)C)C)C

InChI

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

InChIKey

WSPRAEIJBDUDRX-UHFFFAOYSA-N

Compound name

4,4,9,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-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	212.0
[M+Na]+	449.37539	219.0
[M+NH4]+	444.41999	225.9
[M+K]+	465.34933	205.4
[M-H]-	425.37889	214.1
[M+Na-2H]-	447.36084	214.4
[M]+	426.38562	214.1
[M]-	426.38672	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.39345

212.0

[M+Na]+

449.37539

219.0

[M+NH4]+

444.41999

225.9

[M+K]+

465.34933

205.4

[M-H]-

425.37889

214.1

[M+Na-2H]-

447.36084

214.4

[M]+

426.38562

214.1

[M]-

426.38672

214.1

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

3beta-cucurbita-5,24-dien-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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