(Q105202229)

English

(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,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

3alpha-12-ursene-3,24-diol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Urs-12-ene-3alpha,23-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Urs-12-ene-3alpha,24-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OCC1(C)C(O)CCC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC12

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isomeric SMILES

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

0 references

found in taxon

Protium heptaphyllum

1 reference

stated in

Triterpenes from the resin of Protium heptaphyllum

Identifiers

InChI

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

0 references

InChIKey

OWRQLFZZRDBJKV-GFSZXFPJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWRQLFZZRDBJKV-GFSZXFPJSA-N

(Q105202229)

(3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,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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