Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.2367 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 28 / 28 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]9(O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C4[C@@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@]8([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@]1(C)CO)OC[C@H](O)[C@H](O)[C@H]9O
InChI
InChIKey=UEHILKCNLIKLEV-QPMMERAHSA-N
InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25+,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.2367 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 28 / 28 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 20:15:59 GMT 2023
by
admin
on
Fri Dec 15 20:15:59 GMT 2023
|
| Record UNII |
4N5Z068GAZ
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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1542900
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71586956
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4N5Z068GAZ
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DTXSID50155276
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12672-45-6
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4N5Z068GAZ
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| Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
