(Q105124057)

English

[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate

chemical compound

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No description defined

Statements

type of chemical entity

0 references

15-(4,5-dihydroxy-6-methylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

678.434298184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cumingianoside K

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₂O₁₀

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canonical SMILES

O=C(OC1CCC2(C)C3CCC45CC5(CCC4C(C)CC(O)C(O)C(=C)C)C3(C)C(OC6OC(CO)C(O)C(O)C6O)CC2C1(C)C)C

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isomeric SMILES

C=C(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]13C

0 references

Dysoxylum cumingianum

1 reference

Antitumor agents. 168. Dysoxylum cumingianum. IV. The structures of cumingianosides G-O, new triterpene glucosides with a 14,18-cycloapotirucallane-type skeleton from Dysoxylum cumingianum, and their cytotoxicity against human cancer cell lines

Epicharis cumingiana

1 reference

Antitumor agents. 168. Dysoxylum cumingianum. IV. The structures of cumingianosides G-O, new triterpene glucosides with a 14,18-cycloapotirucallane-type skeleton from Dysoxylum cumingianum, and their cytotoxicity against human cancer cell lines

Identifiers

InChI=1S/C38H62O10/c1-19(2)29(42)23(41)15-20(3)22-9-14-38-18-37(22,38)13-10-25-35(7)12-11-27(46-21(4)40)34(5,6)26(35)16-28(36(25,38)8)48-33-32(45)31(44)30(43)24(17-39)47-33/h20,22-33,39,41-45H,1,9-18H2,2-8H3/t20-,22-,23+,24+,25+,26-,27+,28+,29+,30+,31-,32+,33-,35+,36-,37+,38+/m0/s1

0 references

JATVAKFDFYKBLA-IOWWTPHESA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

JATVAKFDFYKBLA-IOWWTPHESA-N

UniChem compound ID

1 reference

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