(Q104403488)

English

(3R,4R,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid

group of stereoisomers with the chemical formula C₃₂H₄₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

(3R,4R,6aR,6bS,8aR,11R,12S,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

512.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₅

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canonical SMILES

O=C(OC1CCC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C(=O)O)C)C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O

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found in taxon

Boswellia carteri

1 reference

stated in

Studies on triterpenoid corticomimetics (III)

Boswellia sacra

1 reference

stated in

Studies on triterpenoid corticomimetics (III)

Identifiers

InChI

InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23?,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1

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InChIKey

HMMGKOVEOFBCAU-XTTIIYOSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HMMGKOVEOFBCAU-XTTIIYOSSA-N

1 reference

(Q104403488)

(3R,4R,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid

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Identifiers

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