CID 57494379

Hopane skeleton

Structural Information

Molecular Formula
C30H50
SMILES
CC(C)[C@H]1CC[C@]2([C@H]1C=C[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
InChI
InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h13,18,20-25H,9-12,14-17,19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey
AZSXWSHKMWOAPJ-PYQRSULMSA-N
Compound name
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.39127 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.398546 207.2
[M+Na]+ 433.380488 211.7
[M-H]- 409.383994 210.8
[M+NH4]+ 428.425093 232.7
[M+K]+ 449.354428 203.7
[M+H-H2O]+ 393.388530 197.3
[M+HCOO]- 455.389471 209.3
[M+CH3COO]- 469.405121 213.3
[M+Na-2H]- 431.365936 203.3
[M]+ 410.39072142 199.2
[M]- 410.39181858 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.