CID 174313

32-desmethoxyrapamycin 1gm

Structural Information

Molecular Formula
C50H77NO12
SMILES
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)CC(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)C)C)C)OC
InChI
InChI=1S/C50H77NO12/c1-30-15-11-10-12-16-31(2)44(60-8)27-38-20-18-36(7)50(59,63-38)47(56)48(57)51-22-14-13-17-39(51)49(58)62-45(35(6)25-37-19-21-40(52)46(26-37)61-9)29-43(55)34(5)24-33(4)42(54)28-41(53)32(3)23-30/h10-12,15-16,24,30,32,34-40,42,44-46,52,54,59H,13-14,17-23,25-29H2,1-9H3
InChIKey
SRIDGLJAFSFWOP-UHFFFAOYSA-N
Compound name
1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

383
Patents

883.54456 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 884.55184 302.8
[M+Na]+ 906.53378 302.3
[M+NH4]+ 901.57838 302.2
[M+K]+ 922.50772 306.1
[M-H]- 882.53728 296.5
[M+Na-2H]- 904.51923 318.4
[M]+ 883.54401 301.1
[M]- 883.54511 301.1
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

patents stripe