(Q105134701)

English

(2S,4R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(2S,4R,4aR,6bR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

4,10-Dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3alpha,22beta-Dihydroxyoleana-12-ene-29-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3beta,22beta-Dihydroxyolean-12-en-30-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3beta,22alpha-Dihydroxyoleana-12-ene-30-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,4S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2-carboxylic acid

1 reference

1 reference

3beta,22beta-Dihydroxyolean-12-en-29-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₄

0 references

canonical SMILES

O=C(O)C1(C)CC(O)C2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C

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isomeric SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)O)C[C@@H](O)[C@]3(C)CC[C@]21C

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found in taxon

Monteverdia laevis

1 reference

stated in

Chemical constituents from the Colombian medicinal plant Maytenus laevis

Identifiers

InChI

InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,26+,27-,28+,29-,30-/m1/s1

0 references

InChIKey

JTBGJQZJEYVBJZ-GDGRUTHZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105134701)

(2S,4R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

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