Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H62O16 |
| Molecular Weight | 822.9321 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C=CC5=C6C[C@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]2(C)CO)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O
InChI
InChIKey=IPBGQSWRSQPGCF-LIOOBZAHSA-N
InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,34+,35-,37-,38+,39+,40-,41-,42-/m1/s1
| Molecular Formula | C42H62O16 |
| Molecular Weight | 822.9321 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:48:36 GMT 2023
by
admin
on
Sat Dec 16 09:48:36 GMT 2023
|
| Record UNII |
3BA9J47AGH
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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101589724
Created by
admin on Sat Dec 16 09:48:37 GMT 2023 , Edited by admin on Sat Dec 16 09:48:37 GMT 2023
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135815-61-1
Created by
admin on Sat Dec 16 09:48:37 GMT 2023 , Edited by admin on Sat Dec 16 09:48:37 GMT 2023
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3BA9J47AGH
Created by
admin on Sat Dec 16 09:48:37 GMT 2023 , Edited by admin on Sat Dec 16 09:48:37 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Structure elucidation of compound.
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