Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C37H67NO13.C12H13NO5S.2H2O |
| Molecular Weight | 1053.258 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CC(=O)N[C@@H](CSC(=O)C1=CC=CC=C1O)C(O)=O.[H][C@@]3(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]4O[C@H](C)C[C@@H]([C@H]4O)N(C)C)[C@H]3C
InChI
InChIKey=IIFAEKHIVMOCLV-HAPQPECPSA-N
InChI=1S/C37H67NO13.C12H13NO5S.2H2O/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-7(14)13-9(11(16)17)6-19-12(18)8-4-2-3-5-10(8)15;;/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-5,9,15H,6H2,1H3,(H,13,14)(H,16,17);2*1H2/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;9-;;/m10../s1
Approval Year
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C169961
Created by
admin on Sat Dec 16 05:44:14 UTC 2023 , Edited by admin on Sat Dec 16 05:44:14 UTC 2023
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PRIMARY | |||
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VMA8F29A76
Created by
admin on Sat Dec 16 05:44:14 UTC 2023 , Edited by admin on Sat Dec 16 05:44:14 UTC 2023
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PRIMARY | |||
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149908-23-6
Created by
admin on Sat Dec 16 05:44:14 UTC 2023 , Edited by admin on Sat Dec 16 05:44:14 UTC 2023
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PRIMARY | |||
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GG-21
Created by
admin on Sat Dec 16 05:44:14 UTC 2023 , Edited by admin on Sat Dec 16 05:44:14 UTC 2023
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PRIMARY | |||
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20055320
Created by
admin on Sat Dec 16 05:44:14 UTC 2023 , Edited by admin on Sat Dec 16 05:44:14 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD