(Q105020251)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

1 reference

based on heuristic

inferred from SMILES

666.397912676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₈O₁₁

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(C)C3C4=CCC5C6(C)CC(O)C(O)C(CO)(CO)C6CCC5(C)C4(C)CC2

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isomeric SMILES

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

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Combretum laxum

1 reference

Bioactive pentacyclic triterpenes from the stems of Combretum laxum.

Combretum fruticosum

1 reference

Bioactive pentacyclic triterpenes from the stems of Combretum laxum.

Identifiers

InChI=1S/C36H58O11/c1-18-8-11-35(31(45)47-30-28(43)27(42)26(41)22(15-37)46-30)13-12-33(4)20(25(35)19(18)2)6-7-23-32(3)14-21(40)29(44)36(16-38,17-39)24(32)9-10-34(23,33)5/h6,18-19,21-30,37-44H,7-17H2,1-5H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32-,33-,34-,35+/m1/s1

0 references

GUKYOTLJPUJHGH-BGCFHXTJSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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