(Q105368266)

English

(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

5-(5-ethyl-6-methylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadeca-8,18-dien-13-ol

1 reference

based on heuristic

inferred from SMILES

mass

440.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5alpha,8alpha-epidioxy-stigmasta-6,9(11),22E-trien-3beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₃

0 references

canonical SMILES

OC1CCC2(C3=CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C=CC(CC)C(C)C)C)C

0 references

isomeric SMILES

CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4)C(C)C

0 references

found in taxon

Stereum hirsutum

1 reference

stated in

New biologically active epidioxysterols from Stereum hirsutum

Haloxylon recurvum

1 reference

stated in

Isolation and cholinesterase-inhibition studies of sterols from Haloxylon recurvum.

Metridium senile

1 reference

stated in

A novel sterol peroxide from the sea anenome Metridium senile

Identifiers

InChI

InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21+,22+,23-,24-,26-,27-,28-,29+/m1/s1

0 references

InChIKey

YXXHYKUZOXXRTH-GUAMEHLRSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

YXXHYKUZOXXRTH-GUAMEHLRSA-N

ChEBI ID

201273

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21+,22+,23-,24-,26-,27-,28-,29+/m1/s1

1 reference

Natural Product Atlas ID

NPA004311

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YXXHYKUZOXXRTH-GUAMEHLRSA-N

(Q105368266)

(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

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)