(Q105216911)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

416.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₈O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(C)C)C4(C)CCC32)C1)C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(C)C)[C@@]4(C)CC[C@H]32)C1

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found in taxon

Mizuhopecten yessoensis

1 reference

stated in

Marine sterols. VI(1). Sterols of the scallop, Patinopecten yessoensis

Identifiers

InChI

InChI=1S/C28H48O2/c1-18(2)7-8-19(3)24-11-12-25-23-10-9-21-17-22(30-20(4)29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22-,23+,24-,25+,26-,27-,28-/m1/s1

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InChIKey

PZCACFCRRKXFLZ-LGFAFGKKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PZCACFCRRKXFLZ-LGFAFGKKSA-N

(Q105216911)

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

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