(Q105156433)

English

(1S,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a,5a,5b,8,8,11a-Hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3aR,5aS,5bR,7aR,9S,11aR,11bS,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aS,5bR,7aS,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from InChI

(1S,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(CCC5(C)CCC43C)C(C)C)C1(C)C

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isomeric SMILES

CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Ageratum fastigiatum

1 reference

stated in

A daucanolide further farnesene derivatives from Ageratum fastigiatum☆

Chromolaena arnottiana

1 reference

stated in

Neue cadinen-derivate und andere inhaltsstoffe aus Chromolaena-arten

Helichrysum tenuiculum

1 reference

stated in

Neue chalkon-derivate und humulon-ähnliche verbindungen aus Helichrysum-arten

Lasiolaena santosii

1 reference

stated in

New germacranolides, guaianolides and rearranged Guaianolides from Lasiolaena santosii

Leucanthemum maximum

1 reference

stated in

A caryophyllene derivative from Leucanthemum maximum

Mikania grazielae

1 reference

stated in

Germacranolides from Mikania grazielae

Sonchus macrocarpus

1 reference

stated in

Two eudesmanolides from Sonchus macrocarpus

Stomatanthes corumbensis

1 reference

stated in

A labdane derivative from Chromolaena collina and a p-hydroxyacetophenone derivative. From Stomatanthes corumbensis

Cyanthillium patulum

1 reference

stated in

Allenic germacranolides, bourbonene derived lactones and other constituents from Vernonia species

Lessingianthus compactiflorus

1 reference

stated in

Hirsutinolides and other sesquiterpene lactones from Vernonia species

Pseudopegolettia tenella

1 reference

stated in

Hirsutinolides and other sesquiterpene lactones from Vernonia species

Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t20-,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

LSACXWBGTOJFEP-OAJQMFOOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105156433)

(1S,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

Statements

Identifiers

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