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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H55NO8
Molecular Weight 701.888
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOLITREM A

SMILES

CC1(C)O[C@H]1[C@H]2O[C@H]3[C@H]4O[C@@]45[C@H](CC[C@]6(C)[C@]7(C)[C@H](CC8=C7NC9=C8C%10=C(C=C9)C(=O)[C@@H]%11[C@@H](C%10)C(C)(C)OC%11(C)C)CC[C@@]56O)O[C@@H]3C(C)(C)O2

InChI

InChIKey=PXJKIAMLVLKXQP-GTHCCFMRSA-N
InChI=1S/C42H55NO8/c1-35(2)23-18-21-20(28(44)27(23)36(3,4)51-35)11-12-24-26(21)22-17-19-13-16-41(45)39(9,40(19,10)30(22)43-24)15-14-25-42(41)32(49-42)29-31(46-25)37(5,6)50-34(47-29)33-38(7,8)48-33/h11-12,19,23,25,27,29,31-34,43,45H,13-18H2,1-10H3/t19-,23+,25-,27-,29+,31-,32+,33?,34-,39+,40+,41-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H55NO8
Molecular Weight 701.888
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NRO91W1R44
Record Status Validated (UNII)
Record Version