Chebi:234180

Structural Information

Molecular Formula

C₆₀H₉₄O₂₈

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H]([C@@]([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)(C)C)C)O)O)O)O)O

InChI

InChI=1S/C60H94O28/c1-22-32(64)36(68)40(72)49(79-22)84-44-43(75)45(48(76)77)85-53(47(44)87-51-42(74)38(70)35(67)27(20-61)82-51)83-31-13-14-56(6)28(57(31,7)21-62)12-15-58(8)29(56)11-10-25-26-18-55(4,5)16-17-60(26,30(63)19-59(25,58)9)54(78)88-52-46(39(71)34(66)24(3)81-52)86-50-41(73)37(69)33(65)23(2)80-50/h10,21-24,26-47,49-53,61,63-75H,11-20H2,1-9H3,(H,76,77)/t22-,23-,24+,26-,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,49-,50-,51-,52-,53+,56-,57-,58+,59+,60+/m0/s1

InChIKey

OBXSLWGMPBPDJC-YKKHUWOCSA-N

Compound name

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid

Related CIDs

• CID 176454224