(Q104987102)

English

(3S,4S,5S,10S,13R,14R,17R)-17-[(2R,5R)-5-hydroperoxy-6-methylhept-6-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₃

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canonical SMILES

OOC(C(=C)C)CCC(C)C1CCC2(C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3)C

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isomeric SMILES

C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)OO

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found in taxon

Xanthosoma robustum

1 reference

stated in

Antibacterial hydroperoxysterols from Xanthosoma robustum.

Identifiers

InChI

InChI=1S/C29H48O3/c1-18(2)26(32-31)11-8-19(3)21-12-16-29(7)24-10-9-22-20(4)25(30)14-15-27(22,5)23(24)13-17-28(21,29)6/h19-22,25-26,30-31H,1,8-17H2,2-7H3/t19-,20+,21-,22+,25+,26-,27+,28-,29+/m1/s1

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InChIKey

DQRMMJNLXCQLBW-DISCLURWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQRMMJNLXCQLBW-DISCLURWSA-N

(Q104987102)

(3S,4S,5S,10S,13R,14R,17R)-17-[(2R,5R)-5-hydroperoxy-6-methylhept-6-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

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Identifiers

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