(Q105311224)

English

(2S,3R,4R,5R)-2-[(3S,6R)-2-methyl-6-[(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-3,6,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl]oxyoxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[2-methyl-6-(3,6,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-3-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

568.397518752 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₆O₈

0 references

canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CC(O)C4C3CC(O)C2C1)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@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/C32H56O8/c1-16(2)26(40-30-29(38)28(37)25(36)15-39-30)7-6-17(3)21-14-24(35)27-19-13-23(34)22-12-18(33)8-10-31(22,4)20(19)9-11-32(21,27)5/h16-30,33-38H,6-15H2,1-5H3/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26+,27-,28-,29-,30+,31-,32-/m1/s1

0 references

InChIKey

WRGWWNXPGRAMSC-VFRPJKQCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WRGWWNXPGRAMSC-VFRPJKQCSA-N

(Q105311224)

(2S,3R,4R,5R)-2-[(3S,6R)-2-methyl-6-[(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-3,6,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl]oxyoxane-3,4,5-triol

Statements

Identifiers

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