CID 6476067

[meala]10-csa

Structural Information

Molecular Formula
C59H105N11O12
SMILES
CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
InChI
InChI=1S/C59H105N11O12/c1-24-26-27-37(13)49(72)48-53(76)62-41(25-2)56(79)64(17)31-45(71)66(19)42(28-32(3)4)52(75)63-46(35(9)10)58(81)67(20)43(29-33(5)6)51(74)60-38(14)50(73)61-39(15)54(77)68(21)44(30-34(7)8)57(80)65(18)40(16)55(78)69(22)47(36(11)12)59(82)70(48)23/h24,26,32-44,46-49,72H,25,27-31H2,1-23H3,(H,60,74)(H,61,73)(H,62,76)(H,63,75)/b26-24+/t37-,38+,39-,40+,41+,42+,43+,44+,46+,47+,48+,49-/m1/s1
InChIKey
ZBWIXSZFCCMYAZ-FQYNWTTGSA-N
Compound name
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,7,10,12,15,19,25,28-decamethyl-9,18,24-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1159.7944 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1160.8017 343.4
[M+Na]+ 1182.7836 344.8
[M-H]- 1158.7871 331.9
[M+NH4]+ 1177.8282 338.1
[M+K]+ 1198.7576 308.3
[M+H-H2O]+ 1142.7917 312.6
[M+HCOO]- 1204.7926 337.6
[M+CH3COO]- 1218.8083 338.8
[M+Na-2H]- 1180.7691 343.2
[M]+ 1159.7939 348.0
[M]- 1159.7949 348.0
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.