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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H62O9
Molecular Weight 638.8721
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 26-HYDROXY RH2

SMILES

[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]3([H])[C@@]4(C)CC[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@]4([H])CC[C@@]23C)[C@@](C)(O)CC\C=C(/C)CO

InChI

InChIKey=UTTXMCFEQIEWFA-QPBBTJJSSA-N
InChI=1S/C36H62O9/c1-20(18-37)9-8-13-36(7,43)21-10-15-35(6)27(21)22(39)17-25-33(4)14-12-26(32(2,3)24(33)11-16-34(25,35)5)45-31-30(42)29(41)28(40)23(19-38)44-31/h9,21-31,37-43H,8,10-19H2,1-7H3/b20-9+/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H62O9
Molecular Weight 638.8721
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
UJ91K7JL3L
Record Status Validated (UNII)
Record Version