(Q105135905)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

468.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₄

0 references

canonical SMILES

O=C1C2=C(CCC3C(C(=O)CCC23C)C)C4CCC(C(C)CCC(=C)C(C(=O)OC)C)C4(C)C1

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isomeric SMILES

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

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found in taxon

Taiwanofungus camphoratus

3 references

stated in

Methyl antcinate A from Antrodia camphorata induces apoptosis in human liver cancer cells through oxidant-mediated cofilin- and Bax-triggered mitochondrial pathway

stated in

Constituents of Antrodia Cinnamomea

stated in

Camphoratins A-J, potent cytotoxic and anti-inflammatory triterpenoids from the fruiting body of Taiwanofungus camphoratus

Antrodia cinnamomea

1 reference

stated in

Constituents of Antrodia Cinnamomea

Identifiers

InChI

InChI=1S/C30H44O4/c1-17(19(3)28(33)34-7)8-9-18(2)22-12-13-24-21-10-11-23-20(4)25(31)14-15-29(23,5)27(21)26(32)16-30(22,24)6/h18-20,22-24H,1,8-16H2,2-7H3/t18-,19+,20+,22-,23+,24+,29+,30-/m1/s1

0 references

InChIKey

JVQOVXPSHOWVQH-PFLXJFGVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105135905)

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

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Identifiers

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