(Q105262615)

English

(1R,3aS,5aR,5bR,7aR,9S,11R,11aS,11bS,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-9,11-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

20(29)-lupene-1beta,3alpha-diol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aS,5aR,5bR,7aR,9R,11R,11aS,11bS,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-9,11-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aS,9R,11R,11aR,11bS,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-9,11-diol

1 reference

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,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-9,11-diol

1 reference

based on heuristic

inferred from InChI

20(29)-lupene-1beta,3beta-diol

1 reference

1 reference

1 reference

C₃₀H₅₀O₂

0 references

canonical SMILES

OC1CC(O)C2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)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)[C@H](O)C[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12

0 references

found in taxon

Phyllanthus velutinus

1 reference

stated in

Triterpenoids from Glochidion heyneanum*

Identifiers

InChI

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

SWEUJTWPRYKNNX-IMTKGKAVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SWEUJTWPRYKNNX-IMTKGKAVSA-N

(Q105262615)

(1R,3aS,5aR,5bR,7aR,9S,11R,11aS,11bS,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-9,11-diol

Statements

Identifiers

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