| SpectraBase Compound ID | Any0DWOazxb |
|---|---|
| InChI | InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38?,39-,40+,41?,42-,43-/m1/s1/i23D/t23?,25-,31+,35+,36+,37+,38?,39-,40+,41?,42-,43- |
| InChIKey | IIMPGJMHQMBXKL-FXGDWNAKSA-N |
| Mol Weight | 719.9 g/mol |
| Molecular Formula | C43H492DN4O6 |
| Exact Mass | 719.379312 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2aJYhEXkhAA |
|---|---|
| Name | Vobtusine-8-d, (7.beta.)- |
| CAS Registry Number | 65967-11-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H49DN4O6 |
| InChI | InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38?,39-,40+,41?,42-,43-/m1/s1/i23D/t23?,25-,31+,35+,36+,37+,38?,39-,40+,41?,42-,43- |
| InChIKey | IIMPGJMHQMBXKL-FXGDWNAKSA-N |
| Molecular Weight | 719.901 g/mol |
| SMILES | N1c2c(C34C1=C(C[C@]15[C@](C6(C[C@@]7(C[C@@]89[C@]%10([C@@]%11([C@]7(N(C6)c6c%11cccc6OC)O)CCN%10CC[C@@]8(OCC9)[H])[H])[H])C(N([C@]41[H])CC3)[2D])(OCC5)[H])C(=O)OC)cccc2 |
| SPLASH | splash10-052r-0902032100-fbfadd96faae2a2ee977 |
| Source of Spectrum | H-60-2849-0 |
| Synonyms | 8-Deuterio-dihydroamataine Isovobtusine-8-D Spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),6'(7'H)-[4H,5H,15aH,16H]furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole], vobtusine-8-d deriv. |
| Wiley ID | 1415588 |