(Q105177011)

English

[(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] icosanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4-Hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) icosanoate

1 reference

based on heuristic

inferred from SMILES

mass

736.673346676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₀H₈₈O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)C(O)CC43C)C1(C)C)CCCCCCCCCCCCCCCCCCC

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isomeric SMILES

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

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found in taxon

Achillea alexandri-regis

1 reference

stated in

Triterpenic derivatives of Achillea alexandri-regis BORNM. & RUDSKI.

Identifiers

InChI

InChI=1S/C50H88O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(52)53-43-32-34-47(6)40(46(43,4)5)31-35-49(8)41(47)29-28-39-45-38(37(2)3)30-33-48(45,7)42(51)36-50(39,49)9/h38-43,45,51H,2,10-36H2,1,3-9H3/t38-,39+,40-,41+,42-,43-,45+,47-,48+,49+,50+/m0/s1

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InChIKey

NBUZTIDYJZWBDL-FDMDZENBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NBUZTIDYJZWBDL-FDMDZENBSA-N

1 reference

(Q105177011)

[(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] icosanoate

Statements

Identifiers

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