(Q105342059)

English

(3S,4aR,6aR,6bS,8aS,11R,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Urs-12-ene-3,28-diol, (3beta)-

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4aS,6aR,6bS,8aS,11S,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

urs-12-ene-3β,28-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,4aS,6aR,6bS,8aS,11R,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4aS,6aR,6bS,8aS,11R,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OCC12CCC(C)C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

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

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found in taxon

Cydonia oblonga

1 reference

stated in

Sterols and Triterpenoids from the Fruit of Cydonia oblonga Miller

Rhododendron groenlandicum

1 reference

stated in

Chemical constitution ofLedum palustre

Rhododendron tomentosum

1 reference

stated in

Chemical constitution ofLedum palustre

Identifiers

InChI

InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25-,27+,28-,29-,30-/m1/s1

0 references

InChIKey

XUARCIYIVXVTAE-PAZHQPHASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105342059)

(3S,4aR,6aR,6bS,8aS,11R,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

Statements

Identifiers

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