(Q105300250)

English

(Z,6R)-6-[(5S,10S,12S,13R,14S,17R)-12-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

6-(12-Hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z,6R)-6-[(5R,10S,12S,13R,14S,17R)-12-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C3=C(CC(O)C12C)C4(C)CCC(=O)C(C)(C)C4CC3)C)C

0 references

isomeric SMILES

C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O

0 references

found in taxon

Kadsura angustifolia

1 reference

stated in

Lignans from Kadsura angustifolia

Identifiers

InChI

InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)20-13-16-29(6)21-11-12-23-27(3,4)24(31)14-15-28(23,5)22(21)17-25(32)30(20,29)7/h10,18,20,23,25,32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,23-,25+,28-,29+,30+/m1/s1

0 references

InChIKey

WAIUSALIJFJZFF-WWECKUTKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WAIUSALIJFJZFF-WWECKUTKSA-N

(Q105300250)

(Z,6R)-6-[(5S,10S,12S,13R,14S,17R)-12-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

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