(Q105272850)

English

(1S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-3a,5a,5b,8,8,11a,13b-heptamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a,5a,5b,8,8,11a,13b-heptamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

440.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C3(C)CCC5(C)CCC(C(=C)C)C45C)C1(C)C

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isomeric SMILES

C=C(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@@]12C

0 references

found in taxon

Deguelia hatschbachii

1 reference

stated in

Prenylated flavonoids from Deguelia hatschbachii and their systematic significance in Deguelia

Identifiers

InChI

InChI=1S/C31H52O/c1-20(2)21-12-15-27(5)18-19-30(8)24(31(21,27)9)11-10-23-28(6)16-14-25(32)26(3,4)22(28)13-17-29(23,30)7/h21-25,32H,1,10-19H2,2-9H3/t21-,22-,23+,24-,25-,27+,28-,29+,30+,31+/m0/s1

0 references

InChIKey

UHEYRGGPLGHYEO-HIDRGCGSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UHEYRGGPLGHYEO-HIDRGCGSSA-N

(Q105272850)

(1S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-3a,5a,5b,8,8,11a,13b-heptamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol

Statements

Identifiers

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