| SpectraBase Spectrum ID |
3pHn85xDAlZ |
| Name |
cis-transoid-12a,12b-9,10,11,12,12a,12b,13,14-octahydro-7-phenylthio-9,12-methano-6H,8aH-5,8-dithiabenzo[c]chrysene |
| Alternate Name(s) |
(1S,2S,3R,19S,20R)-14,18-dithiahexacyclo[18.2.1.0(2,19).0(3,16).0(4,13).0(7,12)]tricosa-4(13),7,9,11,16-pentaen-17-yl phenyl sulfide
(1S,2S,3R,19S,20R)-17-(phenylsulfanyl)-14,18-dithiahexacyclo[18.2.1.0(2,19).0(3,16).0(4,13).0(7,12)]tricosa-4(13),7,9,11,16-pentaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26S3 |
| InChI |
InChI=1S/C27H26S3/c1-2-7-19(8-3-1)29-27-22-15-28-26-20-9-5-4-6-16(20)12-13-21(26)24(22)23-17-10-11-18(14-17)25(23)30-27/h1-9,17-18,23-25H,10-15H2/t17-,18+,23-,24+,25-/m0/s1 |
| InChIKey |
AAVBZJAANRLIAE-PKWKGPSUSA-N |
| Molecular Weight |
446.685 g/mol |
| SMILES |
C1(=C2[C@](C=3CCc4c(C3SC2)cccc4)([H])[C@]2([C@@](S1)([C@]1(C[C@@]2(CC1)[H])[H])[H])[H])Sc1ccccc1 |
| SPLASH |
splash10-0006-0090200000-30d1a8b0aa9cbaeb21a7 |
| Source of Spectrum |
AJ-67-2877-4 |
| Wiley ID |
772903 |
![cis-transoid-12a,12b-9,10,11,12,12a,12b,13,14-octahydro-7-phenylthio-9,12-methano-6H,8aH-5,8-dithiabenzo[c]chrysene](/api/spectrum/3pHn85xDAlZ/structure.png?h=300&w=458 "cis-transoid-12a,12b-9,10,11,12,12a,12b,13,14-octahydro-7-phenylthio-9,12-methano-6H,8aH-5,8-dithiabenzo[c]chrysene")
