esculeogenin A (Q27139800)

ESCULEOGENIN A (English)

7 October 2016

chemical formula

C₂₇H₄₅NO₄

1 reference

ESCULEOGENIN A (English)

7 October 2016

canonical SMILES

CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC16C(CC(CN6)CO)O

1 reference

ESCULEOGENIN A (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16[C@H](C[C@@H](CN6)CO)O

1 reference

Tomato New Sapogenols, Isoesculeogenin A and Esculeogenin B.

ESCULEOGENIN A (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C27H45NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

1 reference

ESCULEOGENIN A (English)

FBKQAVWTYDQPAB-HBDLFPIVSA-N

7 October 2016

InChIKey

2 references

ESCULEOGENIN A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,5alpha,22alpha,23S,25S)-Spirosolane-3,23,27-triol (English)

7 October 2016

2 references

ESCULEOGENIN A (English)

matched by identifier from

7 October 2016

InChIKey

FBKQAVWTYDQPAB-HBDLFPIVSA-N

Reaxys registry number

9826338

1 reference

esculeogenin A (English)

7 October 2016

ChEBI ID

71676

mapping relation type

2 references

esculeogenin A (English)