(Q27134143)

3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid (English)

3-p-Coumaroylactinidic acid

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₂O₇

1 reference

3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid (English)

7 October 2016

canonical SMILES

CC1C2C3=CCC4C(C3(CCC2(CCC1=C)C(=O)O)C)(CCC5C4(CC(C(C5(C)CO)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C

1 reference

3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid (English)

7 October 2016

isomeric SMILES

C[C@@H]1[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(CCC1=C)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C)C

1 reference

3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid (English)

InChI=1S/C39H52O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32-33,40-42H,1,13,15-22H2,2-6H3,(H,44,45)/b14-9+/t24-,28+,29+,30+,32-,33-,35-,36-,37+,38+,39-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid (English)

IFPMSAOPSQVFLA-VYXVHPRESA-N

7 October 2016

InChIKey

2 references

3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2alpha,3beta)-2,23-Dihydroxy-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ursa-12,20(30)-dien-28-oic acid (English)

7 October 2016

2 references

3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid (English)

matched by identifier from

7 October 2016

InChIKey

IFPMSAOPSQVFLA-VYXVHPRESA-N

ChEBI ID

65661

mapping relation type

2 references

3-O-trans-p-coumaroyl actinidic acid (English)