(Q27135414)

CHEBI:66783 (English)

(5R,7R,8R,9R,10R,13S,17S)-17-[(2R,3S,5R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-3-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₈O₆

1 reference

CHEBI:66783 (English)

7 October 2016

canonical SMILES

CC1(C2CC(C3(C(C2(C=CC1=O)C)CCC4(C3=CCC4C5CC(OC5OC)C(C(C)(C)O)O)C)C)O)C

1 reference

CHEBI:66783 (English)

7 October 2016

isomeric SMILES

C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3(C1=CC[C@H]2[C@@H]5C[C@@H](O[C@@H]5OC)[C@H](C(C)(C)O)O)C)O)(C)C)C

1 reference

Triterpenoids from Turraea holstii

CHEBI:66783 (English)

7 October 2016

1 reference

Xylocarpus granatum

2 references

stated in

Protolimonoids and Limonoids from the Chinese Mangrove PlantXylocarpus granatum

stated in

Limonoids from the Seeds of a Hainan Mangrove, Xylocarpus granatum

Identifiers

InChI

InChI=1S/C31H48O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,12,14,17-19,21-22,24-26,33-35H,9,11,13,15-16H2,1-8H3/t17-,18-,19+,21+,22-,24+,25+,26-,29-,30+,31-/m0/s1

1 reference

CHEBI:66783 (English)

XCCPYESNSWQOFT-REAAIDBESA-N

7 October 2016

InChIKey

2 references

CHEBI:66783 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha,7alpha,13alpha,17alpha,20S,21S,23R,24R)-7,24,25-Trihydroxy-21-methoxy-4,4,8-trimethyl-21,23-epoxycholesta-1,14-dien-3-one (English)

7 October 2016

2 references

CHEBI:66783 (English)

matched by identifier from

7 October 2016

InChIKey

XCCPYESNSWQOFT-REAAIDBESA-N

ChEBI ID

66783

mapping relation type

2 references

Protoxylocarpin D (English)