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(2R,3S,4R,5R,2'R,3'S,4'R,5'R)-N,N'-[({4-[(3R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}imino)dipropane-3,1-diyl]bis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)

Catalog ID
STL525670
SMILES OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCCN(C(=O)CC[C@H]([C@H]1CCC2[C@]1(C)[C@@H](O)CC1C2CCC2[C@]1(C)CC[C@H](C2)O)C)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)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 C42H75N3O15 MW 862.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H
InChIKey
OJSUWTDDXLCUFR-NRSNESPYSA-N
Synonyms

(2~(R)3~(S)4~(R)5~(R))~(N)(3(((4~(R))4((3~(R)10~(S)12~(S)13~(R)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanoyl)(3(((2~(R)3~(S)4~(R)5~(R))23456pentahydroxyhexanoyl)amino)propyl)amino)propyl)
(2R3S4R5R2R3S4R5R)NN(((4((3R10S12S13R17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanoyl)imino)dipropane31diyl)bis(23456pentahydroxyhexanamide)(nonpreferredname)
135639079
HEXANAMIDE)(NONPREFERREDNAME)
InChI=1SC42H75N3O15c122(26910272587231824(48)121341(232)28(25)1931(51)42(2627)3)61132(52)45(164144339(59)37(57)35(55)33(53)29(49)2046)175154440(60)38(58)36(56)34(54)30(50)2147h2231333846515358H421H213H3(H4359)(H4460)t2223?2425?2627?28?293031+333435+3
MFCD01880896
OC(C@H)((C@H)((C@@H)((C@H)(C(=O)NCCCN(C(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2CCC2(C@)1(C)CC(C@H)(C2)O)C)CCCNC(=O)(C@@H)((C@H)((C@@H)((C@@H)(CO)O)O)O)O)O)O)O)O
ZINC000254291901
ZINC001772491959

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Available files

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