(Q105269473)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

428.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC(C)[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

Citrus medica

1 reference

stated in

Anti-inflammatory principles from the stem and root barks of Citrus medica

Citrus medica var. sarcodactylis

1 reference

stated in

Anti-inflammatory principles from the stem and root barks of Citrus medica

Identifiers

InChI

InChI=1S/C30H52O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-25,31H,9-18H2,1-8H3/t20-,21-,22-,23+,24-,25-,27+,28-,29+,30+/m0/s1

0 references

InChIKey

UBLNLUPLUKPSPP-ZHWHNTLZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBLNLUPLUKPSPP-ZHWHNTLZSA-N

(Q105269473)

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

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Identifiers

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