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Details

Stereochemistry ABSOLUTE
Molecular Formula C50H76O7
Molecular Weight 789.1342
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KAURAN-18-OIC ACID, 13,13'-((1,10-DIOXO-1,10-DECANEDIYL)BIS(OXY))BIS-, 18,18'-ANHYDRIDE, (4.ALPHA.)-(4'.ALPHA.)-

SMILES

C[C@H]1C[C@]23C[C@@]14CC[C@H]2[C@]5(C)CCC[C@](C)([C@H]5CC3)C(=O)OC(=O)[C@]6(C)CCC[C@@]7(C)[C@@H]8CC[C@@]9(C[C@]8(C[C@@H]9C)CC[C@H]67)OC(=O)CCCCCCCCC(=O)O4

InChI

InChIKey=HGJYDJTZVSYCNN-ZFYVDBHUSA-N
InChI=1S/C50H76O7/c1-33-29-47-25-17-35-43(3)21-13-23-45(35,5)41(53)55-42(54)46(6)24-14-22-44(4)36(46)18-26-48-30-34(2)50(32-48,28-20-38(44)48)57-40(52)16-12-10-8-7-9-11-15-39(51)56-49(33,31-47)27-19-37(43)47/h33-38H,7-32H2,1-6H3/t33-,34-,35-,36-,37-,38-,43+,44+,45+,46+,47+,48+,49-,50-/m0/s1

HIDE SMILES / InChI

Molecular Formula C50H76O7
Molecular Weight 789.1342
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HCD4PT27YZ
Record Status Validated (UNII)
Record Version