(Q105328326)

English

[(3R,3aR,5aR,5bR,7aR,9S,11aS,13R,13aS,13bR)-13-hydroxy-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-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

13-hydroxy-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-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

484.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₃

0 references

canonical SMILES

O=C(OC1CCC2(C3=CC(O)C4(C)C5CCC(C(C)C)C5(C)CCC4(C)C3CCC2C1(C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)C3=C[C@@H](O)[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C

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found in taxon

Pseudocyphellaria aurata

1 reference

stated in

New Fernene Triterpenes From the Lichen Pseudocyphellaria aurata

Identifiers

InChI

InChI=1S/C32H52O3/c1-19(2)21-10-13-25-30(21,7)16-17-31(8)22-11-12-24-28(4,5)27(35-20(3)33)14-15-29(24,6)23(22)18-26(34)32(25,31)9/h18-19,21-22,24-27,34H,10-17H2,1-9H3/t21-,22+,24+,25-,26-,27+,29-,30-,31-,32-/m1/s1

0 references

InChIKey

XHWCHSZUJCEINM-JTKYZMFBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHWCHSZUJCEINM-JTKYZMFBSA-N

1 reference

(Q105328326)

[(3R,3aR,5aR,5bR,7aR,9S,11aS,13R,13aS,13bR)-13-hydroxy-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-yl] acetate

Statements

Identifiers

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