(Q105169424)

English

(2S,3S,4R,5S,6R)-6-[[(3S,4aS,6aS,6bS,8S,8aS,10S,12aS,14aS,14bS)-10-benzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

6-[[10-Benzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

754.429212804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₆₂O₁₁

0 references

canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)C(OC(=O)C=7C=CC=CC7)CC6(CO)C(O)CC54C)C2(C)C)C(O)C(O)C1O

0 references

isomeric SMILES

CC1(C)C[C@H]2C3=CC[C@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)C[C@@H]1OC(=O)c1ccccc1

0 references

Gymnema sylvestre

1 reference

Oleanane saponins from Gymnema sylvestre

Identifiers

InChI=1S/C43H62O11/c1-38(2)19-25-24-13-14-27-40(5)17-16-29(53-37-33(48)31(46)32(47)34(54-37)35(49)50)39(3,4)26(40)15-18-41(27,6)42(24,7)20-28(45)43(25,22-44)21-30(38)52-36(51)23-11-9-8-10-12-23/h8-13,25-34,37,44-48H,14-22H2,1-7H3,(H,49,50)/t25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,40+,41-,42+,43+/m0/s1

0 references

MPDRISVBMYVSPT-TVRKXTHFSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

MPDRISVBMYVSPT-TVRKXTHFSA-N

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