(Q105193430)

English

[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17S)-3,6-dihydroxy-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] hydrogen sulfate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[(1R,3S,3aS,3bR,5S,7S,9aR,9bS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}heptan-2-yl]-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxidanesulfonic acid

1 reference

based on heuristic

inferred from SMILES

mass

648.354333612 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,5S,6S,8R,9S,10R,13R,14S,15S,17R)-3,6-dihydroxy-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] hydrogen sulfate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₆O₁₁S

0 references

canonical SMILES

O=S(=O)(O)OC1CC(C(C)CCC(OC2OCC(O)C(O)C2O)C(C)C)C3(C)CCC4C(CC(O)C5CC(O)CCC54C)C13

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isomeric SMILES

CC(C)[C@H](CC[C@@H](C)[C@@H]1C[C@H](OS(=O)(=O)O)[C@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)O[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O

0 references

found in taxon

Asterias rathbuni

1 reference

stated in

New steroid glycosides from the starfish Asterias rathbuni.

Identifiers

InChI

InChI=1S/C32H56O11S/c1-16(2)25(42-30-29(37)28(36)24(35)15-41-30)7-6-17(3)21-14-26(43-44(38,39)40)27-19-13-23(34)22-12-18(33)8-10-31(22,4)20(19)9-11-32(21,27)5/h16-30,33-37H,6-15H2,1-5H3,(H,38,39,40)/t17-,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-/m1/s1

0 references

InChIKey

OKAHKEMGGOSBJG-VNCZUGRKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OKAHKEMGGOSBJG-VNCZUGRKSA-N

(Q105193430)

[(3S,5S,6S,8S,9R,10S,13R,14S,15S,17S)-3,6-dihydroxy-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] hydrogen sulfate

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Identifiers

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