(Q104990397)

English

methyl (2S,6R)-6-[(3R,4S,5R,10S,13R,14S,17R)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 6-(3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-3-methylideneheptanoate

1 reference

based on heuristic

inferred from SMILES

mass

484.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S,6R)-6-[(3R,4S,5S,10S,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₅

0 references

canonical SMILES

O=C1C2=C(C(=O)CC3(C)C2CCC3C(C)CCC(=C)C(C(=O)OC)C)C4(C)CCC(O)C(C)C4C1

0 references

isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@H]1CC3=O)[C@H](C)C(=O)OC

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found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Biologically active constituents from the fruiting body of Taiwanofungus camphoratus

Identifiers

InChI

InChI=1S/C30H44O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-23,31H,1,8-15H2,2-7H3/t17-,18+,19+,20-,21-,22-,23-,29+,30-/m1/s1

0 references

InChIKey

DVWMQGAGJCMGQF-CTOOKQRGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVWMQGAGJCMGQF-CTOOKQRGSA-N

(Q104990397)

methyl (2S,6R)-6-[(3R,4S,5R,10S,13R,14S,17R)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate

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