Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C41H66O12 |
Molecular Weight | 750.9555 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]7(O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C5[C@]6([H])CC(C)(C)CC[C@@]6(CC[C@@]45C)C(O)=O)[C@]2(C)CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O
InChI
InChIKey=KEOITPILCOILGM-LLJOFIFVSA-N
InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
Molecular Formula | C41H66O12 |
Molecular Weight | 750.9555 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:58:46 GMT 2023
by
admin
on
Sat Dec 16 01:58:46 GMT 2023
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Record UNII |
4H15F0GLV2
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Record Status |
Validated (UNII)
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Record Version |
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α-Hederin
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m5930
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admin on Sat Dec 16 01:58:46 GMT 2023 , Edited by admin on Sat Dec 16 01:58:46 GMT 2023
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DTXSID20949785
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4H15F0GLV2
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27013-91-8
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73296
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106553
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100000128809
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69370
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248-166-5
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SUB36353
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