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(5alpha,8xi,9xi,14xi,16xi,17xi)-spirostan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-beta-D-mannopyranosyl-(1->4)]-beta-D-glucopyranoside

Catalog ID
STL565347
SMILES OC[C@H]1O[C@@H](OC2CC[C@]3([C@H](C2)CCC2C3CC[C@]3(C2CC2C3[C@H](C)[C@]3(O2)CCC(CO3)C)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

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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 C45H74O16 MW 871.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H74O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h19-42,46-53H,7-18H2,1-6H3/t19?,20
InChIKey
KFYOFJUUTSALEH-VZNZCPJXSA-N
Synonyms

(2S3S4S5S6R)2((2R3S4S5R6R)4hydroxy2(hydroxymethyl)6((6R7S9S13S18S)57913tetramethylspiro(5oxapentacyclo(108002904801318)icosane62oxane)16yl)oxy5((2S3R4R5R6S)345trihydroxy6methyloxan2yl)oxyoxan3yl)oxy6methyloxane345triol
(5alpha8xi9xi14xi16xi17xi)spirostan3yl6deoxyalphaLmannopyranosyl(1>2)(6deoxybetaDmannopyranosyl(1>4))betaDglucopyranoside
(5ALPHA8XI9XI14XI16XI17XI)SPIROSTAN3YL6DEOXYALPHALMANNOPYRANOSYL(12)(6DEOXYBETADMANNOPYRANOSYL(14))BETADGLUCOPYRANOSIDE
44662095
InChI=1SC45H74O16c11991445(541819)20(2)3028(6145)16272587231524(101243(235)26(25)111344(2730)6)574239(604136(52)34(50)32(48)22(4)5641)37(53)38(29(1746)5842)594035(51)33(49)31(47)21(3)5540h19424653H718H216H3t19?2021+222324?25?26?27?28?29+30?31+323334+
MFCD32651639
OC(C@H)1O(C@@H)(O(C@H)2CC(C@)3((C@H)(C2)CC(C@@H)2C3CC(C@)3(C2C(C@H)2(C@@H)3(C@H)(C)(C@)3(O2)CCC(CO3)C)C)C)(C@@H)((C@H)((C@@H)1O(C@@H)1O(C@H)(C)(C@H)((C@@H)((C@@H)1O)O)O)O)O(C@@H)1O(C@@H)(C)(C@@H)((C@H)((C@H)1O)O)O
ZINC000253505441
ZINC000253505459

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Available files

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