(Q105187254)

English

(3R,5R,6R,8S,10S,13R,14S,17R)-17-[(2R,4S)-4-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(4-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

1 reference

based on heuristic

inferred from SMILES

mass

418.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₆O₃

0 references

canonical SMILES

OC1CCC2(C3=CCC4(C)C(CCC4C(C)CC(O)CC(C)C)C3CC(O)C2C1)C

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isomeric SMILES

CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C

0 references

found in taxon

Sida spinosa

1 reference

stated in

Ecdysteroids and other constituents from Sida spinosa L.

Identifiers

InChI

InChI=1S/C27H46O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,16-22,24-25,28-30H,6-8,10-15H2,1-5H3/t17-,18-,19+,20+,21-,22+,24+,25-,26-,27-/m1/s1

0 references

InChIKey

NXLPNFCDYLPKSA-KONACNDTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NXLPNFCDYLPKSA-KONACNDTSA-N

(Q105187254)

(3R,5R,6R,8S,10S,13R,14S,17R)-17-[(2R,4S)-4-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

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Identifiers

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