Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H64N2.2C16H18N2O5S |
| Molecular Weight | 1297.75 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C(O)=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)COC6=CC=CC=C6)C(O)=O.[H][C@@]78CCC9=C(C=CC(=C9)C(C)C)[C@@]7(C)CCC[C@@]8(C)CNCCNC[C@]%10(C)CCC[C@]%11(C)C%12=C(CC[C@@]%10%11[H])C=C(C=C%12)C(C)C
InChI
InChIKey=IJXFBPWHGGIUAV-YQUITFMISA-N
InChI=1S/C42H64N2.2C16H18N2O5S/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t37-,38-,39-,40-,41+,42+;2*11-,12+,14-/m011/s1
| Molecular Formula | C16H18N2O5S |
| Molecular Weight | 350.39 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C42H64N2 |
| Molecular Weight | 596.971 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:26:34 UTC 2023
by
admin
on
Fri Dec 15 15:26:34 UTC 2023
|
| Record UNII |
8T7T79P87L
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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23724984
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m387
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admin on Fri Dec 15 15:26:34 UTC 2023 , Edited by admin on Fri Dec 15 15:26:34 UTC 2023
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6591-72-6
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8T7T79P87L
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C175188
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100000085295
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SUB03765MIG
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52173
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
