(Q105270763)

English

methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-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-3a-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₄

0 references

canonical SMILES

O=C(OC)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(CO)CC1

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(CO)[C@H](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

Peganum nigellastrum

1 reference

stated in

Three New Triterpenoids fromPeganumnigellastrum

Identifiers

InChI

InChI=1S/C31H50O4/c1-19(2)20-10-15-30(26(34)35-7)16-17-31(18-32)21(25(20)30)8-9-23-28(5)13-12-24(33)27(3,4)22(28)11-14-29(23,31)6/h20-25,32-33H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24+,25+,28-,29+,30-,31-/m0/s1

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InChIKey

UEBDDJDCLTYODS-VAPIBPPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UEBDDJDCLTYODS-VAPIBPPKSA-N

1 reference

(Q105270763)

methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

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Identifiers

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