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(4alpha,5xi,7alpha,8xi,10xi,12xi,13xi,15alpha,17xi,22xi)-4,7,14,16,20-pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2,3-dihydroxy-2-methylbutanoate

Catalog ID
STL564449
SMILES CCC(C(=O)O[C@H]1C(O)C2C(C3[C@]1(O)C1[C@H](O)CC4C5([C@]1(C3)O[C@]4(O)C(CC5)OC(=O)C(C(O)C)(O)C)C)CN1C([C@@]2(C)O)CC[C@@H](C1)C)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 C37H59NO12 MW 709.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18?,19?,20?,21?,22+,23?,24?,25?,26
InChIKey
LWSPRPDSPCBAKK-WNERTKKASA-N
Synonyms

((6S10S13S14S16R23S25R)1012141623pentahydroxy61019trimethyl13(2methylbutanoyloxy)24oxa4azaheptacyclo(121200211049015250182301925)hexacosan22yl)23dihydroxy2methylbutanoate
(4alpha5xi7alpha8xi10xi12xi13xi15alpha17xi22xi)47141620pentahydroxy15((2methylbutanoyl)oxy)49epoxycevan3yl23dihydroxy2methylbutanoate
(4S6R6bS7S9S12S16aR)466b89pentahydroxy91216btrimethyl7((2methylbutanoyl)oxy)docosahydro1H416aepoxybenzo(45)indeno(12h)pyrido(12b)isoquinolin3yl23dihydroxy2methylbutanoate
16396458
CCC(C(=O)O(C@H)1C(O)C2C(C3(C@)1(O)C1(C@H)(O)CC4C5((C@)1(C3)O(C@)4(O)C(CC5)OC(=O)C(C(O)C)(O)C)C)CN1C((C@@)2(C)O)CC(C@@H)(C1)C)C
InChI=1SC37H59NO12c1818(3)30(42)492927(41)2620(16381517(2)91024(38)34(267)45)21143528(36(2129)46)22(40)132332(355)121125(37(2347)5035)4831(43)33(644)19(4)39h172939414447H816H217H3t1718?19?20?21?22+23?24?25?26?27?28?2932?33?34+35+3637m0s1
ZINC000253387760
ZINC000253387763

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Available files

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