Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H32O7S |
| Molecular Weight | 524.625 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C2=CC(COC3=CC=C4[C@H](CC(O)=O)COC4=C3)=CC=C2
InChI
InChIKey=BZCALJIHZVNMGJ-HSZRJFAPSA-N
InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29711
Created by
admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
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24857286
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100000175100
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C132780
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GLP1W4JXAH
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ZZ-123
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9651
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CHEMBL1829174
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DB12491
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1000413-72-8
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DTXSID601025726
Created by
admin on Sat Dec 16 01:59:57 UTC 2023 , Edited by admin on Sat Dec 16 01:59:57 UTC 2023
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ACTIVE MOIETY
METABOLITE INACTIVE (PARENT)
SALT/SOLVATE (PARENT)
