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(1alpha,14alpha)-20-ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate

Catalog ID
STL564369
SMILES CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@]1(O)[C@H]2OC)OC)OC)OC(=O)c1ccccc1N

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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 C30H42N2O7 MW 542.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21-,22+,23+,24?,25+,27-,28+,29+,30+/m1/s1
InChIKey
VSUODASNSRJNCP-QZKFWBPUSA-N
Synonyms

((1S2S3S4S5R6S8S9S13S16S17S)11ethyl38dihydroxy4616trimethoxy11azahexacyclo(772125011003801317)nonadecan13yl)2aminobenzoate
(1alpha14alpha)20ethyl89dihydroxy11416trimethoxyaconitan4yl2aminobenzoate
(3S6S6aS7S7aS8S9R10S11aS12S14S)1ethyl7a11adihydroxy6810trimethoxytetradecahydro1H36a12(epiethane(112)triyl)79methanonaphtho(23b)azocin3yl2aminobenzoate
13918939
CCN1C(C@@)2(CC(C@@H)((C@)34C1(C@H)(C(C@H)23)(C@@)1(O)C(C@@H)((C@H)2C(C@@H)4(C@)1(O)(C@H)2OC)OC)OC)OC(=O)c1ccccc1N
InChI=1SC30H42N2O7c15321527(3926(33)16867919(16)31)111023(373)2921(27)1318(24(29)32)28(34)1420(362)171222(29)30(2835)25(17)384h69171820253435H5101531H214H3t1718+20+2122+23+24?25+2728+29+30+m1s1
NDEACETYLLAPPACONITINE
ZINC000042834094

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Available files

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