Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C47H72O14 |
| Molecular Weight | 861.068 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 20 / 20 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@]([H])(C)[C@]1([H])[C@@]([H])(C)CC[C@]2(C[C@]3([H])C[C@@]([H])(C/C(/[H])=C(\C)/[C@]([H])([C@@]([H])(C)/C(/[H])=C(\[H])/C(/[H])=C/4\CO[C@]5([H])[C@@]([H])(C(=C[C@@]([H])(C(=O)O3)[C@]45O)C)O)O[C@@]6([H])C[C@@]([H])([C@]([H])([C@]([H])(C)O6)O[C@@]7([H])C[C@@]([H])([C@]([H])([C@]([H])(C)O7)O)O)OC)O2)O1
InChI
InChIKey=NMQZPTGPMUJFGY-LPVPJCRESA-N
InChI=1S/C47H72O14/c1-10-24(2)42-27(5)16-17-46(61-42)22-33-19-32(60-46)15-14-26(4)41(58-38-21-36(53-9)43(30(8)56-38)59-37-20-35(48)40(50)29(7)55-37)25(3)12-11-13-31-23-54-44-39(49)28(6)18-34(45(51)57-33)47(31,44)52/h11-14,18,24-25,27,29-30,32-44,48-50,52H,10,15-17,19-23H2,1-9H3/b12-11+,26-14+,31-13+/t24-,25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41-,42+,43-,44+,46+,47+/m0/s1
| Molecular Formula | C47H72O14 |
| Molecular Weight | 861.068 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 20 / 20 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 07:17:55 UTC 2021
by
admin
on
Sat Jun 26 07:17:55 UTC 2021
|
| Record UNII |
G36RGK72LA
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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155491110
Created by
admin on Sat Jun 26 07:17:55 UTC 2021 , Edited by admin on Sat Jun 26 07:17:55 UTC 2021
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PRIMARY | PUBCHEM | ||
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G36RGK72LA
Created by
admin on Sat Jun 26 07:17:55 UTC 2021 , Edited by admin on Sat Jun 26 07:17:55 UTC 2021
|
PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE | |||
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PARENT -> METABOLITE |
