CID 91820275

20,21-diprenylterpendole j

Structural Information

Molecular Formula
C42H59NO5
SMILES
CC(=CCC1=C(C2=C(C=C1)NC3=C2C[C@H]4[C@]3([C@]5(CC[C@H]6C7([C@@]5(CC4)O)C(O7)C([C@H](O6)C(C)(C)OCC=C(C)C)O)C)C)CC=C(C)C)C
InChI
InChI=1S/C42H59NO5/c1-24(2)11-13-27-14-16-31-33(29(27)15-12-25(3)4)30-23-28-17-21-41(45)39(9,40(28,10)35(30)43-31)20-18-32-42(41)37(48-42)34(44)36(47-32)38(7,8)46-22-19-26(5)6/h11-12,14,16,19,28,32,34,36-37,43-45H,13,15,17-18,20-23H2,1-10H3/t28-,32-,34?,36-,37?,39+,40+,41-,42?/m0/s1
InChIKey
UGMIZDAXWBVEKZ-YXRIEBEFSA-N
Compound name
(1S,2R,5S,7S,12S,15S)-1,2-dimethyl-7-[2-(3-methylbut-2-enoxy)propan-2-yl]-19,20-bis(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

657.43933 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.44661 254.8
[M+Na]+ 680.42855 258.9
[M-H]- 656.43205 256.6
[M+NH4]+ 675.47315 261.3
[M+K]+ 696.40249 254.3
[M+H-H2O]+ 640.43659 250.7
[M+HCOO]- 702.43753 245.5
[M+CH3COO]- 716.45318 271.3
[M+Na-2H]- 678.41400 249.0
[M]+ 657.43878 259.8
[M]- 657.43988 259.8
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.