(Q105215180)

English

(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

(1S,2R,6aR,6bR,12aR)-1,2,6b,9,9,12a-hexamethyl-10-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

(4aS,6aR,6aR,6bR,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

Quinovic acid 3-O-alpha-L-rhamnopyranoside

1 reference

based on heuristic

inferred from SMILES

mass

632.392433372 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

3beta-(beta-D-Fucopyranosyloxy)urs-12-ene-27,28-dioic acid

1 reference

based on heuristic

inferred from InChI

(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₆O₉

0 references

canonical SMILES

O=C(O)C12C(=CCC3C4(C)CCC(OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC31C)C6C(C)C(C)CCC6(C(=O)O)CC2

0 references

isomeric SMILES

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

0 references

found in taxon

Uncaria tomentosa

1 reference

stated in

Triterpenes and quinovic acid glycosides from Uncaria tomentosa

Aria edulis

1 reference

stated in

Triterpenes and quinovic acid glycosides from Uncaria tomentosa

Nauclea latifolia

1 reference

stated in

New indole alkaloids from Sarcocephalus latifolius.

Sarcocephalus latifolius

1 reference

stated in

New indole alkaloids from Sarcocephalus latifolius.

Identifiers

InChI

InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,33+,34-,35+,36-/m1/s1

0 references

InChIKey

PUOQHFWXBKTHST-RDHWLSTBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PUOQHFWXBKTHST-RDHWLSTBSA-N

1 reference

(Q105215180)

(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)