(Q105244437)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC2(C3=CCC4C5C(CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)C(C)C)C

0 references

isomeric SMILES

CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

0 references

found in taxon

Lasiolaena santosii

1 reference

stated in

New germacranolides, guaianolides and rearranged Guaianolides from Lasiolaena santosii

Stomatanthes corumbensis

1 reference

stated in

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

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/h10,19-22,24-25,31H,9,11-18H2,1-8H3/t20-,21+,22-,24-,25+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

RRYFDMYADAVXFH-HDVHSARJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RRYFDMYADAVXFH-HDVHSARJSA-N

(Q105244437)

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

Statements

Identifiers

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