(Q105120472)

English

(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aS,6bR,8aR,12aR,14aR,14bR)-8a-carboxy-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

edit

Statements

instance of

type of chemical entity

0 references

1 reference

632.392433372 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-8a-carboxy-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-8a-carboxy-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 InChIKey

calenduloside E

1 reference

based on heuristic

inferred from InChI

(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-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 InChI

chemical formula

C₃₆H₅₆O₉

0 references

canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)O)CCC5(C)C4(C)CCC3C2(C)C)C(O)C(O)C1O

0 references

isomeric SMILES

CC1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@H]2C1

0 references

found in taxon

Calendula officinalis

1 reference

stated in

The structure of triterpenic glycosides from the flowers of Calendula officinalis L.

Identifiers

InChI

InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21+,22-,23+,24+,25+,26-,27+,29+,33+,34+,35+,36-/m1/s1

0 references

InChIKey

IUCHKMAZAWJNBJ-PJLFLPMRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IUCHKMAZAWJNBJ-PJLFLPMRSA-N

(Q105120472)

(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aS,6bR,8aR,12aR,14aR,14bR)-8a-carboxy-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

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)