(Q104988101)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-7,9-diol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aR,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-7,9-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Lupa-20(29)-ene-3beta,6alpha-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OC1CC2(C)C(CCC3C4C(C(=C)C)CCC4(C)CCC32C)C5(C)CCC(O)C(C)(C)C15

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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]5[C@H](O)C[C@]43C)[C@@H]12

0 references

found in taxon

Monteverdia chiapensis

1 reference

stated in

Lupane triterpenoids from Maytenus species

Pleurostylia opposita

2 references

stated in

Triterpenes from the leaves of Pleurostylia opposita

stated in

Structures of four new oxygenated lupanes from Pleurostylia opposita(Celastraceae)

Identifiers

InChI

InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-29(7)20(24(19)27)9-10-22-28(6)14-12-23(32)26(3,4)25(28)21(31)17-30(22,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22+,23-,24+,25-,27+,28+,29+,30+/m0/s1

0 references

InChIKey

DSXMIKAVZFWLFV-CWSOLWDWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DSXMIKAVZFWLFV-CWSOLWDWSA-N

(Q104988101)

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

Statements

Identifiers

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