CID 42608404

14-nor-lanosta-5-en-3beta-ol

Structural Information

Molecular Formula
C29H50O
SMILES
CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4(C)C)O)C)C
InChI
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24,26,30H,8-13,15-18H2,1-7H3/t20?,21?,22-,23?,24?,26+,28-,29-/m1/s1
InChIKey
DASOUCLGLBPXLC-RFFCGCGHSA-N
Compound name
(3S,10R,13R,17R)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.38617 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.39345 211.2
[M+Na]+ 437.37539 213.5
[M-H]- 413.37889 212.8
[M+NH4]+ 432.41999 231.8
[M+K]+ 453.34933 206.7
[M+H-H2O]+ 397.38343 204.8
[M+HCOO]- 459.38437 214.7
[M+CH3COO]- 473.40002 232.0
[M+Na-2H]- 435.36084 204.9
[M]+ 414.38562 205.5
[M]- 414.38672 205.5
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.