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(2S,3S)-3-hydroxy-2-((S)-4-methyl-2-(4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanamido)pentanamido)butanoic acid

Catalog ID
STL553303
SMILES CC(C[C@@H](C(=O)N[C@H](C(=O)O)C(O)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)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 C29H46N2O11 MW 598.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H46N2O11/c1-14(2)13-20(24(35)31-23(17(5)32)25(36)37)30-21(33)9-10-22(34)38-26-16(4)19-8-7-15(3)18-11-12-28(6)40-27(39-26)29(18,19)42-41-28/h14-20,23,26-27,32H,7-13H2,1-6H3,(H,30,33)(H,31,35)(H,36,37)/t15-,16-,17?,18+,19+,20+,23+,26-,27-,28+,29
InChIKey
BGQVNUGSWTULCW-QUPQPQMBSA-N
Synonyms

(2~(S))3hydroxy2(((2~(S))4methyl2((4oxo4(((1~(S)4~(S)5~(R)8~(S)9~(R)10~(S)12~(R)13~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)pentanoyl)amino)butanoicacid
(2S3S)3hydroxy2((S)4methyl2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanamido)butanoicacid
16405645
CC(C(C@@H)(C(=O)N(C@H)(C(=O)O)C(O)C)NC(=O)CCC(=O)O(C@@H)1O(C@@H)2O(C@)3(C)CC(C@@H)4(C@)2((C@H)((C@H)1C)CC(C@H)4C)OO3)C
InChI=1SC29H46N2O11c114(2)1320(24(35)3123(17(5)32)25(36)37)3021(33)91022(34)382616(4)198715(3)18111228(6)4027(3926)29(1819)424128h142023262732H713H216H3(H3033)(H3135)(H3637)t151617?18+19+20+23+262728+29m1s1
ZINC000100780157
ZINC000100780159

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Available files

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