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(2S)-[(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](phenyl)ethanoic acid

Catalog ID
STL553281
SMILES O=C(N[C@@H](c1ccccc1)C(=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 C27H35NO9 MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO9/c1-15-9-10-19-16(2)24(34-25-27(19)18(15)13-14-26(3,35-25)36-37-27)33-21(30)12-11-20(29)28-22(23(31)32)17-7-5-4-6-8-17/h4-8,15-16,18-19,22,24-25H,9-14H2,1-3H3,(H,28,29)(H,31,32)/t15-,16-,18+,19+,22+,24-,25-,26?,27?/m1/s1
InChIKey
UUEZBKXLUNDXSZ-CXCLAISLSA-N
Synonyms

(2~(S))2((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)2phenylaceticacid
(2S)((4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)(phenyl)ethanoicacid
(S)2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)2phenylaceticacid
16406011
InChI=1SC27H35NO9c1159101916(2)24(342527(19)18(15)131426(33525)363727)3321(30)121120(29)2822(23(31)32)177546817h4815161819222425H914H213H3(H2829)(H3132)t151618+19+22+242526?27?m1s1
O=C(N(C@@H)(c1ccccc1)C(=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
ZINC000100781526

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Available files

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