(Q105346856)

English

3alpha,20-Lupanediol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from SMILES

mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

1 reference

C₃₀H₅₂O₂

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(CCC5(C)CCC43C)C(O)(C)C)C1(C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Grewia bilamellata

1 reference

stated in

Antimalarial compounds from Grewia bilamellata.

Identifiers

InChI

InChI=1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23-,24-,27-,28+,29-,30-/m1/s1

0 references

InChIKey

YDNYDUBBAZTLTQ-FSEYCXJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YDNYDUBBAZTLTQ-FSEYCXJLSA-N

1 reference

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