(Q105136725)

English

(3S,4aR,6aR,6aS,6bR,8aR,12aS)-3-acetyloxy-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-Acetyloxy-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

526.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₆

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canonical SMILES

O=C(OC1(O)CC2(C(=O)O)C(=C3C=CC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC2)CC1(C)C)C

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isomeric SMILES

CC(=O)O[C@@]1(O)C[C@]2(C(=O)O)CC[C@]3(C)C(=C2CC1(C)C)C=C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C

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found in taxon

Tetrapanax papyrifer

1 reference

stated in

Oleanane-type triterpenes from the flowers, pith, leaves, and fruit of Tetrapanax papyriferus

Identifiers

InChI

InChI=1S/C32H46O6/c1-19(33)38-32(37)18-31(25(35)36)16-15-29(7)20(21(31)17-26(32,2)3)9-10-23-28(6)13-12-24(34)27(4,5)22(28)11-14-30(23,29)8/h9-10,22-23,37H,11-18H2,1-8H3,(H,35,36)/t22-,23+,28-,29+,30+,31+,32-/m0/s1

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InChIKey

JXQWECUYHGGLLB-BNXUJASPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JXQWECUYHGGLLB-BNXUJASPSA-N

(Q105136725)

(3S,4aR,6aR,6aS,6bR,8aR,12aS)-3-acetyloxy-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid

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Identifiers

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