(Q105330641)

English

(2S)-2-[(2S,5S,6S)-5-methyl-6-[(2S,3S,5S,6R,7R,10E,12R,13R,14E,16R)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid

group of stereoisomers with the chemical formula C₃₃H₆₀O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

568.4339042599998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₆₀O₇

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canonical SMILES

O=C(O)C(C)C1OC(C(C)CC1)C(C)C(O)C(C)C(O)C(C)C(O)CCC=CC(C)C(O)C(=CC(C)CCC)C

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isomeric SMILES

CCC[C@@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/CC[C@@H](O)[C@@H](C)[C@H](O)C(C)[C@H](O)[C@H](C)[C@H]1O[C@H]([C@H](C)C(=O)O)CC[C@@H]1C

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Identifiers

InChI

InChI=1S/C33H60O7/c1-10-13-19(2)18-22(5)29(35)20(3)14-11-12-15-27(34)23(6)30(36)25(8)31(37)26(9)32-21(4)16-17-28(40-32)24(7)33(38)39/h11,14,18-21,23-32,34-37H,10,12-13,15-17H2,1-9H3,(H,38,39)/b14-11+,22-18+/t19-,20-,21+,23-,24+,25?,26+,27-,28+,29-,30+,31+,32+/m1/s1

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InChIKey

XMCIULDTDFJACK-HAZYJDJZSA-N

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PubChem CID

12993627

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XMCIULDTDFJACK-HAZYJDJZSA-N

1 reference

(Q105330641)

(2S)-2-[(2S,5S,6S)-5-methyl-6-[(2S,3S,5S,6R,7R,10E,12R,13R,14E,16R)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid

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