Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C36H56O6.2C7H17NO5 |
| Molecular Weight | 975.2534 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O)C(C)=C
InChI
InChIKey=TXIOIJSYWOLKNU-FLQODOFBSA-N
InChI=1S/C36H56O6.2C7H17NO5/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41);2*4-13H,2-3H2,1H3/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-;2*4-,5+,6+,7+/m000/s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1660
Created by
admin on Fri Dec 15 17:20:52 UTC 2023 , Edited by admin on Fri Dec 15 17:20:52 UTC 2023
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11400413
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823821-85-8
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CHEMBL404519
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C78045
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O6DDV91W1M
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300000044585
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65484
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admin on Fri Dec 15 17:20:52 UTC 2023 , Edited by admin on Fri Dec 15 17:20:52 UTC 2023
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RR-125
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admin on Fri Dec 15 17:20:52 UTC 2023 , Edited by admin on Fri Dec 15 17:20:52 UTC 2023
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m2466
Created by
admin on Fri Dec 15 17:20:52 UTC 2023 , Edited by admin on Fri Dec 15 17:20:52 UTC 2023
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PRIMARY | Merck Index |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD