(Q105209871)

English

3-[(3S,5S,8S,9R,10R,13S,14R,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cardanolides

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mass

522.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-O-beta-D-Xylovopyranosylperiplogenin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₉

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OCC(O)C(O)C6O)CCC5(C)C4CCC23C

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isomeric SMILES

C[C@@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]34C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1

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found in taxon

Saussurea stella

1 reference

stated in

Cardenolides from Saussurea stella with cytotoxicity toward cancer cells

Identifiers

InChI

InChI=1S/C28H42O9/c1-25-7-3-16(37-24-23(32)22(31)20(29)14-36-24)12-27(25,33)9-5-19-18(25)4-8-26(2)17(6-10-28(19,26)34)15-11-21(30)35-13-15/h11,16-20,22-24,29,31-34H,3-10,12-14H2,1-2H3/t16-,17+,18+,19-,20+,22+,23+,24-,25+,26-,27-,28+/m0/s1

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InChIKey

PJCAANBWOIEGPP-KRIKAEBBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PJCAANBWOIEGPP-KRIKAEBBSA-N

(Q105209871)

3-[(3S,5S,8S,9R,10R,13S,14R,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Statements

Identifiers

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