(Q104910086)

English

(1,3-dioxoisoindol-2-yl)methyl (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

24-methyllanostane triterpenoid

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isoindole alkaloid

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mass

685.3978531 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₅NO₇

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canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C(C(O)CC4(C3=CCC2C1(C)C)C)C(C(=O)OCN5C(=O)C=6C=CC=CC6C5=O)CCC(=C)C(C)C)C)C

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isomeric SMILES

C=C(CC[C@@H](C(=O)OCN1C(=O)c2ccccc2C1=O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C

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found in taxon

Wolfiporia cocos

1 reference

stated in

Isolation of lanostane-type triterpene acids having an acetoxyl group from sclerotia of Poria cocos

Macrohyporia cocos

1 reference

stated in

Isolation of lanostane-type triterpene acids having an acetoxyl group from sclerotia of Poria cocos

Identifiers

InChI

InChI=1S/C42H55NO7/c1-24(2)25(3)14-15-29(38(48)49-23-43-36(46)27-12-10-11-13-28(27)37(43)47)35-32(45)22-42(9)31-16-17-33-39(5,6)34(50-26(4)44)19-20-40(33,7)30(31)18-21-41(35,42)8/h10-13,16,18,24,29,32-35,45H,3,14-15,17,19-23H2,1-2,4-9H3/t29-,32-,33+,34-,35+,40-,41-,42+/m1/s1

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InChIKey

AEIODDCOGPFVEZ-OMMDDGHJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AEIODDCOGPFVEZ-OMMDDGHJSA-N

(Q104910086)

(1,3-dioxoisoindol-2-yl)methyl (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoate

Statements

Identifiers

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