PubChemLite - (3beta,21alphah)-22(30)-hopene-3,29-diol (C30H50O2)

Structural Information

Molecular Formula

SMILES

CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5C4(CCC5C(=C)CO)C)C)C)C

InChI

InChI=1S/C30H50O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h20-25,31-32H,1,8-18H2,2-7H3

InChIKey

SUMUIPKPDFCHLW-UHFFFAOYSA-N

Compound name

3-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-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]+	443.38835	214.0
[M+Na]+	465.37029	219.6
[M+NH4]+	460.41489	229.2
[M+K]+	481.34423	205.1
[M-H]-	441.37379	215.7
[M+Na-2H]-	463.35574	215.5
[M]+	442.38052	215.9
[M]-	442.38162	215.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.38835

214.0

[M+Na]+

465.37029

219.6

[M+NH4]+

460.41489

229.2

[M+K]+

481.34423

205.1

[M-H]-

441.37379

215.7

[M+Na-2H]-

463.35574

215.5

[M]+

442.38052

215.9

[M]-

442.38162

215.9

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

(3beta,21alphah)-22(30)-hopene-3,29-diol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe