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N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)serine

Catalog ID
STL528027
SMILES OCC(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=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 C30H41NO10 MW 575.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO10/c1-17(33)41-30(24(35)16-40-26(37)7-6-25(36)31-23(15-32)27(38)39)13-10-22-20-5-4-18-14-19(34)8-11-28(18,2)21(20)9-12-29(22,30)3/h14,20-23,32H,4-13,15-16H2,1-3H3,(H,31,36)(H,38,39)/t20?,21?,22?,23?,28-,29-,30-/m0/s1
InChIKey
BKCAFXZIJWHGQX-XGDDLOTFSA-N
Synonyms

2((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3hydroxypropanoicacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3hydroxypropanoicacid
44666613
InChI=1SC30H41NO10c117(33)4130(24(35)164026(37)7625(36)3123(1532)27(38)39)1310222054181419(34)81128(182)21(20)91229(2230)3h14202332H4131516H213H3(H3136)(H3839)t20?21?22?23?282930m0s1
MFCD03850123
N(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)serine
OCC(C(=O)O)NC(=O)CCC(=O)OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C
ZINC000253502151
ZINC000253502159

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Available files

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