(Q105214488)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Olean-12-ene-3beta,28-diol

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OCC12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

0 references

isomeric SMILES

CC1(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]2C1

0 references

found in taxon

Ilex aquifolium

1 reference

stated in

Constituents of the Leaves of Ilex aquifolium L.

Pouteria caimito

1 reference

stated in

Triterpenes from Pouteria caimito

Pterocarpus santalinus

1 reference

stated in

A new triterpene from Pterocarpus santalinus bark

Identifiers

InChI

InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23-,24-,27-,28+,29+,30-/m1/s1

0 references

InChIKey

PSZDOEIIIJFCFE-XJORUFTOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PSZDOEIIIJFCFE-XJORUFTOSA-N

(Q105214488)

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

Statements

Identifiers

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