(Q105124496)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-2,3,3b,5,7-pentol

1 reference

based on heuristic

inferred from SMILES

mass

468.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(25S)-5alpha-cholestan-3beta,6alpha,8beta,15alpha,16beat,26-hexol

1 reference

based on heuristic

inferred from InChI

(25S)-5alpha-cholestan-3beta,6alpha,8,15beta,16beta,26-hexol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₈O₆

0 references

canonical SMILES

OCC(C)CCCC(C)C1C(O)C(O)C2C3(O)CC(O)C4CC(O)CCC4(C)C3CCC12C

0 references

isomeric SMILES

C[C@@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@]3(O)C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Mediaster murrayi

1 reference

stated in

New steroid glycosides from the deep-water starfish Mediaster murrayi.

Identifiers

InChI

InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-22(31)23(32)24-26(21,4)11-9-20-25(3)10-8-17(29)12-18(25)19(30)13-27(20,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20-,21+,22-,23+,24-,25+,26-,27+/m1/s1

0 references

InChIKey

JBQJBUSSZCBEON-CGGQDTMHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105124496)

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

Statements

Identifiers

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