Details
Stereochemistry | UNKNOWN |
Molecular Formula | C45H70N8O13 |
Molecular Weight | 931.0831 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 11 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | unknown at sites not defined |
SHOW SMILES / InChI
SMILES
[H][C@@]2(CC1=CC=CC=C1)N(C)C(=O)[C@H](C)N(O)C(=O)C3CCCNN3C(=O)C(NC(=O)C(C)(O)C4(O)CCC(CC(C)C)C(C)O4)C(OC(=O)[C@H](CO)NC(=O)C5CCCNN5C2=O)C(C)C
InChI
InChIKey=CQRHYPCUIMZJPK-QBKJKBBFSA-N
InChI=1S/C45H70N8O13/c1-25(2)22-30-18-19-45(63,66-28(30)6)44(7,62)43(61)49-35-36(26(3)4)65-42(60)31(24-54)48-37(55)32-16-12-20-46-51(32)39(57)34(23-29-14-10-9-11-15-29)50(8)38(56)27(5)53(64)40(58)33-17-13-21-47-52(33)41(35)59/h9-11,14-15,25-28,30-36,46-47,54,62-64H,12-13,16-24H2,1-8H3,(H,48,55)(H,49,61)/t27-,28?,30?,31-,32?,33?,34-,35?,36?,44?,45?/m0/s1
Molecular Formula | C45H70N8O13 |
Molecular Weight | 931.0831 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 11 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:00:23 GMT 2023
by
admin
on
Sat Dec 16 15:00:23 GMT 2023
|
Record UNII |
6IE7AZK3CH
|
Record Status |
Validated (UNII)
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Record Version |
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-
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6IE7AZK3CH
Created by
admin on Sat Dec 16 15:00:23 GMT 2023 , Edited by admin on Sat Dec 16 15:00:23 GMT 2023
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PRIMARY | |||
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179170-18-4
Created by
admin on Sat Dec 16 15:00:23 GMT 2023 , Edited by admin on Sat Dec 16 15:00:23 GMT 2023
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PRIMARY | |||
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171402-40-7
Created by
admin on Sat Dec 16 15:00:23 GMT 2023 , Edited by admin on Sat Dec 16 15:00:23 GMT 2023
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NO STRUCTURE GIVEN | |||
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135390885
Created by
admin on Sat Dec 16 15:00:23 GMT 2023 , Edited by admin on Sat Dec 16 15:00:23 GMT 2023
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PRIMARY |