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3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-[(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)amino]propanoic acid

Catalog ID
STL553220
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

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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 C29H45NO10 MW 567.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45NO10/c1-16-6-7-20-17(2)25(37-26-29(20)19(16)10-12-28(5,38-26)39-40-29)36-24(34)9-8-22(31)30-21(14-23(32)33)18-11-13-35-27(3,4)15-18/h16-21,25-26H,6-15H2,1-5H3,(H,30,31)(H,32,33)/t16-,17-,18?,19+,20+,21?,25-,26-,28?,29?/m1/s1
InChIKey
BZDDSQKYWNEMFG-SBFPRVEBSA-N
Synonyms

16404933
3(22dimethyloxan4yl)3((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3((4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)propanoicacid
InChI=1SC29H45NO10c116672017(2)25(372629(20)19(16)101228(53826)394029)3624(34)9822(31)3021(1423(32)33)1811133527(34)1518h16212526H615H215H3(H3031)(H3233)t161718?19+20+21?252628?29?m1s1
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100776583
ZINC000229965247

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Available files

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