(Q105228136)

English

(3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15-tetrol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10,13-Dimethyl-17-[6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15-tetrol

1 reference

based on heuristic

inferred from SMILES

mass

584.392433372 dalton

1 reference

1 reference

C₃₂H₅₆O₉

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canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CC(O)C4C3CC(O)C2(O)C1)C(C)CCC(OC5OCC(O)C(O)C5O)C(C)C

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isomeric SMILES

CC(C)[C@H](CC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[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

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found in taxon

Asterias rathbuni

1 reference

stated in

New steroid glycosides from the starfish Asterias rathbuni.

Identifiers

InChI

InChI=1S/C32H56O9/c1-16(2)24(41-29-28(38)27(37)23(35)15-40-29)7-6-17(3)21-13-22(34)26-19-12-25(36)32(39)14-18(33)8-11-31(32,5)20(19)9-10-30(21,26)4/h16-29,33-39H,6-15H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24+,25-,26-,27+,28+,29-,30-,31-,32+/m1/s1

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InChIKey

QUFRHILJEYKJJI-QTGBPVEMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QUFRHILJEYKJJI-QTGBPVEMSA-N

(Q105228136)

(3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15-tetrol

Statements

Identifiers

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