(Q105112922)

English

[(1S,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] tetradecanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl tetradecanoate

1 reference

based on heuristic

inferred from SMILES

mass

652.579446292 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Lupa-20(29)-ene-3beta,16beta-diol 3-tetradecanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aS,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] tetradecanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₄H₇₆O₃

0 references

canonical SMILES

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

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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)CCCCCCCCCCCCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

0 references

found in taxon

Roldana barba-johannis

1 reference

stated in

Evaluation of the anti-inflammatory and antioxidant activities of the plastoquinone derivatives isolated from Roldana barba-johannis

Identifiers

InChI

InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1

0 references

InChIKey

IHCDDIKRSYLACI-JVFFPKSBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHCDDIKRSYLACI-JVFFPKSBSA-N

(Q105112922)

[(1S,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] tetradecanoate

Statements

Identifiers

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