(Q105236264)

English

(2R)-2-[(2R)-2-[(3R,5S,9S,10R,13R,14R,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-4-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-(2-{7-methoxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl}propyl)-3-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

468.360345396 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₈O₃

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canonical SMILES

O=C1OC(C=C1C)CC(C)C2CCC3(C4=CCC5C(C)(C)C(OC)CCC5(C)C4CCC23C)C

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isomeric SMILES

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

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found in taxon

Abies sibirica

1 reference

stated in

Triterpenoids from Abies sp. IX. Triterpene lactones from Abies sibirica bark

Abies veitchii

1 reference

stated in

Veitchiolide, a tetracyclic triterpene lactone fromAbies veitchii

Identifiers

InChI

InChI=1S/C31H48O3/c1-19(17-21-18-20(2)27(32)34-21)22-11-15-31(7)24-9-10-25-28(3,4)26(33-8)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,21-23,25-26H,10-17H2,1-8H3/t19-,21-,22-,23-,25-,26-,29-,30-,31+/m1/s1

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InChIKey

RHCAOVDBFCREAC-XWRSEQPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHCAOVDBFCREAC-XWRSEQPYSA-N

(Q105236264)

(2R)-2-[(2R)-2-[(3R,5S,9S,10R,13R,14R,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-4-methyl-2H-furan-5-one

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