(Q105249351)

English

(4aS,6aR,6aR,6bR,8aS,10S,12aR,14bS)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,2,6b,9,9,12a-hexamethyl-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

632.392433372 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-2,2,6b,9,9,12a-hexamethyl-10-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₆O₉

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canonical SMILES

O=C(O)C12C(=CCC3C4(C)CCC(OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC31C)C6CC(C)(C)CCC6(C(=O)O)CC2

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isomeric SMILES

C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Isertia haenkeana

1 reference

stated in

Two triterpene glycosides from Isertia haenkeana

Identifiers

InChI

InChI=1S/C36H56O9/c1-19-25(37)26(38)27(39)28(44-19)45-24-11-12-33(6)22(32(24,4)5)10-13-34(7)23(33)9-8-20-21-18-31(2,3)14-15-35(21,29(40)41)16-17-36(20,34)30(42)43/h8,19,21-28,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t19-,21+,22-,23-,24+,25-,26+,27-,28+,33+,34-,35+,36-/m1/s1

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InChIKey

SBEFEKWSETYQKS-RBQLAMAKSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105249351)

(4aS,6aR,6aR,6bR,8aS,10S,12aR,14bS)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

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Identifiers

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