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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H80O3
Molecular Weight 681.1256
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL OLEYL CARBONATE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)OCCCCCCCC\C=C/CCCCCCCC)[C@H](C)CCCC(C)C

InChI

InChIKey=XMPIMLRYNVGZIA-TZOMHRFMSA-N
InChI=1S/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1

HIDE SMILES / InChI

Molecular Formula C46H80O3
Molecular Weight 681.1256
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
95LLB1K2WE
Record Status Validated (UNII)
Record Version