PubChemLite - (20s,24e)-20,26-dihydroxy-24-dammaren-3-one (C30H50O3)

Structural Information

Molecular Formula

SMILES

C/C(=C/CCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)/CO

InChI

InChI=1S/C30H50O3/c1-20(19-31)9-8-15-30(7,33)22-12-17-28(5)21(22)10-11-24-27(4)16-14-25(32)26(2,3)23(27)13-18-29(24,28)6/h9,21-24,31,33H,8,10-19H2,1-7H3/b20-9-

InChIKey

YYUILYGGEOINGF-UKWGHVSLSA-N

Compound name

17-[(Z)-2,7-dihydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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	218.0
[M+Na]+	481.36522	220.8
[M-H]-	457.36872	217.9
[M+NH4]+	476.40982	237.9
[M+K]+	497.33916	214.0
[M+H-H2O]+	441.37326	213.5
[M+HCOO]-	503.37420	218.3
[M+CH3COO]-	517.38985	234.6
[M+Na-2H]-	479.35067	215.1
[M]+	458.37545	212.2
[M]-	458.37655	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.38328

218.0

[M+Na]+

481.36522

220.8

[M-H]-

457.36872

217.9

[M+NH4]+

476.40982

237.9

[M+K]+

497.33916

214.0

[M+H-H2O]+

441.37326

213.5

[M+HCOO]-

503.37420

218.3

[M+CH3COO]-

517.38985

234.6

[M+Na-2H]-

479.35067

215.1

[M]+

458.37545

212.2

[M]-

458.37655

212.2

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

(20s,24e)-20,26-dihydroxy-24-dammaren-3-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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