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(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bR)-3,9-dihydroxy-9,12,16b-trimethyldocosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(1H)-one 14-oxide

Catalog ID
STL565986
SMILES O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2C[N+]2([O-])C[C@@H](C)CC[C@H]2[C@@]1(C)O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H43NO4 MW 445.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H43NO4/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25,32)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-,28?/m0/s1
InChIKey
RTQDXHMAHWNJLQ-QCCAPMPZSA-N
Synonyms
1353547-31-5
(1R2S6S9S10S11R14S15S18S20S23R24S)1020dihydroxy61023trimethyl4oxido4azoniahexacyclo(1211002110490152401823)pentacosan17one
(3S4aS6aS6bS8aR9S9aS12S15aS15bR16aS16bR)39dihydroxy91216btrimethyl5oxotetracosahydro1Hbenzo(45)indeno(12h)pyrido(12b)isoquinoline14oxide
(3S4aS6aS6bS8aR9S9aS12S15aS15bR16aS16bR)39dihydroxy91216btrimethyldocosahydrobenzo(45)indeno(12h)pyrido(12b)isoquinolin5(1H)one14oxide
1353547315
16397295
InChI=1SC27H43NO4c115472527(331)21651718(20(21)1428(2532)1315)112219(17)1224(30)231016(29)8926(2223)2h1523252931H414H213H3t151617+18+192021+2223+2526+2728?m0s1
MFCD27989259
O(C@H)1CC(C@)2((C@H)(C1)C(=O)C(C@@H)1(C@@H)2C(C@@H)2(C@H)1CC(C@@H)1(C@H)2C(N+)2((O))C(C@@H)(C)CC(C@H)2(C@@)1(C)O)C
ZINC000252694912
ZINC000252694913

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Available files

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