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About This Item
Empirical Formula (Hill Notation):
C37H31NO4S
CAS Number:
Molecular Weight:
585.71
UNSPSC Code:
12352103
Beilstein/REAXYS Number:
4221286
MDL number:
assay
97%
optical activity
[α]20/D +24°, c = 1 in methanol
mp
170-173 °C (lit.)
SMILES string
OC(=O)[C@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCC4c5ccccc5-c6ccccc46
InChI
1S/C37H31NO4S/c39-35(40)34(38-36(41)42-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-43-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,38,41)(H,39,40)/t34-/m0/s1
InChI key
KLBPUVPNPAJWHZ-UMSFTDKQSA-N
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