(Q105298344)

English

(3R,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1H,2H,3H,4H,5H,5bH,6H,7H,7aH,9H,10H,11H,13H,13bH-cyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3S,3aS,5bS,9S,11aS,13aR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1H,2H,3H,4H,5H,5bH,6H,7H,7aH,9H,10H,11H,13H,13bH-cyclopenta[a]chrysen-9-ol

1 reference

1 reference

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

(3S,3aS,5bS,11aS,13aR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1H,2H,3H,4H,5H,5bH,6H,7H,7aH,9H,10H,11H,13H,13bH-cyclopenta[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

Fernan-9(11)-ene-3alpha-ol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC2(C3=CCC4(C)C5CCC(C(C)C)C5(C)CCC4(C)C3CCC2C1(C)C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C

0 references

found in taxon

Sorghum bicolor

3 references

stated in

The biosynthesis, metabolism and translocation of β-amyrin in Sorghum bicolor

stated in

The stereochemistry of migrated hopanes epimeric at C-21

Ficus fistulosa

1 reference

stated in

Structure elucidation of two triterpenoids from Ficus fistulosa

Elaeocarpus chelonimorphus

1 reference

stated in

Triterpenes from the fruit of Elaeocarpus chelonimorphus

Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1

0 references

InChIKey

VWYANPOOORUCFJ-RLUCXGOASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VWYANPOOORUCFJ-RLUCXGOASA-N

1 reference

(Q105298344)

(3R,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1H,2H,3H,4H,5H,5bH,6H,7H,7aH,9H,10H,11H,13H,13bH-cyclopenta[a]chrysen-9-ol

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Identifiers

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