(Q104935263)

English

(2R)-2-[(2R)-2-[(3R,5S,7S,8S,10S,13R,14S,17R)-7-hydroxy-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-4-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(2-{4-hydroxy-7-methoxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3bH,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl}propyl)-3-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

484.355260016 dalton

1 reference

1 reference

C₃₁H₄₈O₄

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canonical SMILES

O=C1OC(C=C1C)CC(C)C2CCC3(C)C4C(=CCC23C)C5(C)CCC(OC)C(C)(C)C5CC4O

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isomeric SMILES

CO[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)C[C@@H]5C=C(C)C(=O)O5)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@@H]2C1(C)C

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found in taxon

Abies veitchii

1 reference

stated in

Veitchiolide, a tetracyclic triterpene lactone fromAbies veitchii

Identifiers

InChI

InChI=1S/C31H48O4/c1-18(15-20-16-19(2)27(33)35-20)21-9-14-31(7)26-22(10-13-30(21,31)6)29(5)12-11-25(34-8)28(3,4)24(29)17-23(26)32/h10,16,18,20-21,23-26,32H,9,11-15,17H2,1-8H3/t18-,20-,21-,23+,24-,25-,26+,29-,30-,31+/m1/s1

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InChIKey

BGBKLMBLKNDJMK-VPXGRBKMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BGBKLMBLKNDJMK-VPXGRBKMSA-N

(Q104935263)

(2R)-2-[(2R)-2-[(3R,5S,7S,8S,10S,13R,14S,17R)-7-hydroxy-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-4-methyl-2H-furan-5-one

Statements

Identifiers

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