IST 622
CAS Registry Number®
128201-92-3
No image available.
CAS Name
IST 622Molecular Formula
C44H44O16Molecular Mass
828.81Cite this Page
IST 622. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=128201-92-3 (retrieved ) (CAS RN: 128201-92-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C44H44O16/c1-6-51-18-17-26(45)56-35-23-13-10-14-24(28(23)36-30-29-25(54-41(49)31(30)35)16-15-19(2)27(29)40(48)57-36)55-44-39(60-43-33(47)37(50-5)32(46)20(3)52-43)38-34(21(4)53-44)58-42(59-38)22-11-8-7-9-12-22/h7-16,20-21,32-34,37-39,42-44,46-47H,6,17-18H2,1-5H3/t20-,21-,32+,33-,34+,37+,38+,39-,42+,43-,44+/m1/s1
InChIKey
InChIKey=YAZCVTSUQIJVMZ-SDMTUEQXSA-N
SMILES
O(C(CCOCC)=O)C=1C2=C3C(=C4C1C=CC=C4O[C@H]5[C@H](O[C@@H]6[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O6)[C@@]7([C@]([C@@H](C)O5)(O[C@@H](O7)C8=CC=CC=C8)[H])[H])OC(=O)C=9C3=C(OC2=O)C=CC9C
Canonical SMILES
O=C1OC2=CC=C(C=3C(=O)OC=4C=5C(OC6OC(C)C7OC(OC7C6OC8OC(C)C(O)C(OC)C8O)C=9C=CC=CC9)=CC=CC5C(OC(=O)CCOCC)=C1C4C23)C
Other Names for this Substance
- Propanoic acid, 3-ethoxy-, 10-[[6-deoxy-2-O-(6-deoxy-3-O-methyl-α-D-galactopyranosyl)-3,4-O-[(S)-phenylmethylene]-β-D-galactopyranosyl]oxy]-5,12-dihydro-1-methyl-5,12-dioxobenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-6-yl ester
- IST 622
