| SpectraBase Compound ID | 9GzHDBJVe3J |
|---|---|
| InChI | InChI=1S/C43H46N4O7/c1-50-28-9-5-7-26-31(28)47-22-40-19-23-18-39-21-30(48)53-29(39)10-14-45-15-12-42(26,35(39)45)43(23,47)54-37(40)46-16-11-41-25-6-3-4-8-27(25)44-32(41)24(33(49)51-2)20-38(34(41)46)13-17-52-36(38)40/h3-9,23,29,34-37,44H,10-22H2,1-2H3/t23?,29?,34?,35?,36?,37-,38?,39?,40+,41?,42?,43+/m1/s1 |
| InChIKey | VSMRTTPNAHJORK-UHFFFAOYSA-N |
| Mol Weight | 730.9 g/mol |
| Molecular Formula | C43H46N4O7 |
| Exact Mass | 730.33665 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2lfVoZOjiq |
|---|---|
| Name | Vobtusine, 2'-deoxy-2',8-epoxy-21'-oxo-, (7.beta.,8R)- |
| CAS Registry Number | 59796-72-4 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H46N4O7 |
| InChI | InChI=1S/C43H46N4O7/c1-50-28-9-5-7-26-31(28)47-22-40-19-23-18-39-21-30(48)53-29(39)10-14-45-15-12-42(26,35(39)45)43(23,47)54-37(40)46-16-11-41-25-6-3-4-8-27(25)44-32(41)24(33(49)51-2)20-38(34(41)46)13-17-52-36(38)40/h3-9,23,29,34-37,44H,10-22H2,1-2H3/t23?,29?,34?,35?,36?,37-,38?,39?,40+,41?,42?,43+/m1/s1 |
| InChIKey | VSMRTTPNAHJORK-UHFFFAOYSA-N |
| Molecular Weight | 730.862 g/mol |
| SMILES | N1c2c(C34C1=C(CC15C([C@@]67CC8CC9%10C(CCN%11C9C9([C@]8(O[C@]6(N(C41)CC3)[H])N(C7)c1c(OC)cccc91)CC%11)OC(C%10)=O)OCC5)C(=O)OC)cccc2 |
| SPLASH | splash10-01q9-0004010900-e369cade50c504d06d1e |
| Source of Spectrum | H-60-2855-1 |
| Synonyms | 21'-Oxoamataine 21'-Oxograndifoline 21'-Oxosubsessiline 27ah-10b,26-methano-10ah,11H,20H,24bH,28ah-furo[2',3':7,8]indolizino[8,1-cd]furo[2'',3'':4',4'a]indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quino[3',2':5,6][1,3]oxazino[3,2-l]carbazole, vobtusine deriv. 27aH-10b,26-Methano-10aH,11H,20H,24bH,28aH-furo[2',3':7,8]indolizino[8,1-cd]furo[2'',3'':4',4'a]indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quino[3',2':5,6][1,3]oxazino[3,2-l]carbazole, vobtusine deriv. Amatain-21'-one Methyl 26-methoxy-39-oxo-3,22,38-trioxa-10,20,24,34-tetraazatetradecacyclo[22.20.1.1(6,17).1(31,34).0(1,21).0(2,6).0(9,17).0(11,16).0(20,47).0(23,31).0(23,43).0(25,30).0(37,41).0(41,46)]heptatetraconta-8,11,13,15,25,27,29-heptaene-8-carboxylate Subsessiline lactone |
| Wiley ID | 1415917 |