(Q105211972)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

428.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

C₃₀H₅₂O

0 references

canonical SMILES

OC(C)(C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C

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isomeric SMILES

CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C

0 references

found in taxon

Polypodium virginianum

1 reference

stated in

Fern constituents: Triterpenoids isolated from Polypodium vulgare, P. fauriei and P. virginianum

Identifiers

InChI

InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21+,22-,23+,24-,27+,28+,29-,30-/m1/s1

0 references

InChIKey

PNJBOAVCVAVRGR-BAFNNCQCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105211972)

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

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