| SpectraBase Spectrum ID |
LEULsPYEGgD |
| Name |
10,11-Dihydroxy-2-acetoxy-3-((4'-methoxyphenyl)thio)-12-oxo-1,4,4a(R*),5,12,12a(S*)-hexahydronaphhacene |
| Alternate Name(s) |
(4aR,12aS)-10,11-dihydroxy-3-[(4-methoxyphenyl)sulfanyl]-12-oxo-1,4,4a,5,12,12a-hexahydro-2-naphthacenyl acetate |
| CAS Registry Number |
86668-48-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H24O6S |
| InChI |
InChI=1S/C27H24O6S/c1-14(28)33-22-13-20-16(12-23(22)34-19-8-6-18(32-2)7-9-19)11-17-10-15-4-3-5-21(29)24(15)27(31)25(17)26(20)30/h3-10,16,20,29,31H,11-13H2,1-2H3/t16-,20+/m1/s1 |
| InChIKey |
RRNRXCNJERHZER-UZLBHIALSA-N |
| Molecular Weight |
476.543 g/mol |
| SMILES |
Oc1c2c(cccc2cc2C[C@@]3(CC(=C(C[C@@]3(C(c12)=O)[H])OC(=O)C)Sc1ccc(cc1)OC)[H])O |
| SPLASH |
splash10-0fb9-0961400000-27ee4be8ca473dc83579 |
| Source of Spectrum |
J-48-3262-0 |
| Wiley ID |
1394321 |
