CID 12305098

Lup-20(29)-ene

Structural Information

Molecular Formula
C30H50
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCCC([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C
InChI
InChI=1S/C30H50/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKey
CMMUMPUVMQKMLU-VIUFNMEASA-N
Compound name
(1R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

410.39127 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.39855 211.1
[M+Na]+ 433.38049 218.3
[M+NH4]+ 428.42509 228.0
[M+K]+ 449.35443 202.0
[M-H]- 409.38399 214.7
[M+Na-2H]- 431.36594 214.1
[M]+ 410.39072 213.9
[M]- 410.39182 213.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.