U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H54O8
Molecular Weight 602.7985
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25-ANHYDROCIMIGENOL 3-O-.BETA.-D-XYLOSIDE

SMILES

[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)=C)[C@H](O)[C@@]4(C)[C@]5([H])CC[C@]6([H])[C@]7(C[C@@]57CC[C@]24C)CC[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)C6(C)C

InChI

InChIKey=CVBALRXHSITZGC-PVGNLWKZSA-N
InChI=1S/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28+,29-,31-,32-,33-,34+,35+/m1/s1

HIDE SMILES / InChI

Approval Year