(Q105032481)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-methylergostane steroid

0 references

mass

500.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₆

0 references

canonical SMILES

O=C1C2=C(C(O)CC3C(O)(C(=O)CCC23C)C)C4CCC(C(C)CCC(=C)C(C(=O)OC)C)C4(C)C1

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)CCC(=O)[C@](C)(O)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)OC

0 references

found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Antcamphins A-L, ergostanoids from Antrodia camphorata

Identifiers

InChI

InChI=1S/C30H44O6/c1-16(18(3)27(34)36-7)8-9-17(2)19-10-11-20-25-21(31)14-23-28(4,13-12-24(33)30(23,6)35)26(25)22(32)15-29(19,20)5/h17-21,23,31,35H,1,8-15H2,2-7H3/t17-,18+,19-,20+,21+,23-,28+,29-,30-/m1/s1

0 references

InChIKey

HQWYIQDEBGBHLM-ZMBJEERTSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

HQWYIQDEBGBHLM-ZMBJEERTSA-N

1 reference

(Q105032481)

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

Statements

Identifiers

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