CID 157009887

31-nor-lanost-9(11)-en-3beta-ol

Structural Information

Molecular Formula
C28H46O
SMILES
CC1[C@@H]2CCC3[C@@H]4CC[C@@H]([C@]4(CC=C3[C@]2(CC[C@@H]1O)C)C)[C@H](C)CCC=C(C)C
InChI
InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,14,19-24,26,29H,7,9-13,15-17H2,1-6H3/t19-,20?,21?,22-,23+,24+,26+,27-,28+/m1/s1
InChIKey
OCLLTKLANREWLG-SDWBXBEQSA-N
Compound name
(3S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.35486 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.362136 207.5
[M+Na]+ 421.344078 209.4
[M-H]- 397.347584 209.1
[M+NH4]+ 416.388683 226.8
[M+K]+ 437.318018 202.1
[M+H-H2O]+ 381.352120 201.1
[M+HCOO]- 443.353061 211.6
[M+CH3COO]- 457.368711 228.2
[M+Na-2H]- 419.329526 200.5
[M]+ 398.35431142 200.3
[M]- 398.35540858 200.3
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.