Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H68O14.H2O |
| Molecular Weight | 814.9962 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@]6(C)CC[C@H](O6)C(C)(C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O
InChI
InChIKey=CEMJEHYEYPSFCH-ODEXAWOHSA-N
InChI=1S/C42H68O14.H2O/c1-37(2)20-9-11-25-39(5)15-13-24(41(7)16-14-28(55-41)38(3,4)56-36-34(51)32(49)30(47)23(19-44)53-36)40(39,6)17-26(45)42(25,8)21(20)10-12-27(37)54-35-33(50)31(48)29(46)22(18-43)52-35;/h9,21-25,27-36,43-44,46-51H,10-19H2,1-8H3;1H2/t21-,22-,23-,24+,25+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41+,42+;/m1./s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C42H68O14 |
| Molecular Weight | 796.9809 |
| 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 09:46:49 GMT 2023
by
admin
on
Sat Dec 16 09:46:49 GMT 2023
|
| Record UNII |
VSD10N68WY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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VSD10N68WY
Created by
admin on Sat Dec 16 09:46:49 GMT 2023 , Edited by admin on Sat Dec 16 09:46:49 GMT 2023
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PRIMARY | |||
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90478925
Created by
admin on Sat Dec 16 09:46:49 GMT 2023 , Edited by admin on Sat Dec 16 09:46:49 GMT 2023
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m215
Created by
admin on Sat Dec 16 09:46:49 GMT 2023 , Edited by admin on Sat Dec 16 09:46:49 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
|
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|
PARENT -> SALT/SOLVATE |
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