CID 52931415

A-norgorgostanol

Structural Information

Molecular Formula
C30H52O
SMILES
C[C@H](C(C)C)[C@]1(C[C@@H]1C(C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H]5CO)C)C)C
InChI
InChI=1S/C30H52O/c1-18(2)20(4)30(7)16-27(30)19(3)23-10-11-25-22-8-9-24-21(17-31)12-14-29(24,6)26(22)13-15-28(23,25)5/h18-27,31H,8-17H2,1-7H3/t19?,20-,21-,22+,23-,24+,25+,26+,27-,28-,29+,30-/m1/s1
InChIKey
ZPCMMGCCNMFRSF-ZZVAJMFUSA-N
Compound name
[(1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)-3a,5a-dimethyl-6-[1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-1,2,3,3b,4,5,6,7,8,8a,8b,9,10,10a-tetradecahydroindeno[5,4-e]inden-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.40182 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 208.0
[M+Na]+ 451.39104 210.9
[M-H]- 427.39454 213.0
[M+NH4]+ 446.43564 224.4
[M+K]+ 467.36498 205.4
[M+H-H2O]+ 411.39908 204.6
[M+HCOO]- 473.40002 210.0
[M+CH3COO]- 487.41567 235.1
[M+Na-2H]- 449.37649 198.8
[M]+ 428.40127 204.8
[M]- 428.40237 204.8
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.