(Q105208721)

English

(8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroperoxy-5-propan-2-ylhept-6-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

17-(5-hydroperoxy-5-propan-2-ylhept-6-en-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

1 reference

based on heuristic

inferred from SMILES

(9aR,11aR)-1-[(2R)-5-hydroperoxy-5-isopropylhept-6-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-5,7-dione

1 reference

based on heuristic

inferred from SMILES

(9aR,11aR)-1-[(2R,5R)-5-hydroperoxy-5-isopropylhept-6-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-5,7-dione

1 reference

based on heuristic

inferred from SMILES

mass

456.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₄

0 references

canonical SMILES

O=C1C=C2C(=O)CC3C(CCC4(C)C(CCC34)C(C)CCC(OO)(C=C)C(C)C)C2(C)CC1

0 references

isomeric SMILES

C=C[C@@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C

0 references

found in taxon

Turbinaria conoides

1 reference

stated in

New cytotoxic oxygenated fucosterols from the brown alga Turbinaria conoides

Identifiers

InChI

InChI=1S/C29H44O4/c1-7-29(33-32,18(2)3)15-10-19(4)22-8-9-23-21-17-26(31)25-16-20(30)11-13-28(25,6)24(21)12-14-27(22,23)5/h7,16,18-19,21-24,32H,1,8-15,17H2,2-6H3/t19-,21+,22-,23+,24+,27-,28-,29+/m1/s1

0 references

InChIKey

PGUZRCYRDRXYDE-WPCIBIDWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PGUZRCYRDRXYDE-WPCIBIDWSA-N

(Q105208721)

(8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroperoxy-5-propan-2-ylhept-6-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)