(Q104977279)

English

(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-10-[(2R,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

10-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

704.41356274 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₀O₁₁

0 references

canonical SMILES

O=C(O)C12CCC(=C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OCC(O)C(O)C7O)C(C)(C)C5CCC4(C)C3(C)CC1

0 references

isomeric SMILES

C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1

0 references

1 reference

30-Noroleanane saponins from callus tissues of Akebia quinata

Identifiers

InChI=1S/C39H60O11/c1-20-9-14-39(34(45)46)16-15-37(5)21(22(39)17-20)7-8-26-36(4)12-11-27(35(2,3)25(36)10-13-38(26,37)6)49-33-31(29(43)24(41)19-48-33)50-32-30(44)28(42)23(40)18-47-32/h7,22-33,40-44H,1,8-19H2,2-6H3,(H,45,46)/t22-,23+,24-,25+,26-,27-,28-,29-,30+,31+,32-,33+,36-,37+,38+,39-/m0/s1

0 references

DEIZWTCTMOWHIZ-DRIPEQOFSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

DEIZWTCTMOWHIZ-DRIPEQOFSA-N

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