(Q27136427)

inferred from SMILES

mass

488.35 dalton

1 reference

Esculentic acid (English)

(1S,2R,4aS,6aR,6aS,6bR,8aS,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

7 October 2016

stereoisomer of

2 references

(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

2 references

(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11S,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

2 references

(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

1 reference

(1S,2R,4aS,6aS,6bR,8aR,9S,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

1 reference

1 reference

C₃₀H₄₈O₅

1 reference

Esculentic acid (English)

7 October 2016

canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O

1 reference

Esculentic acid (English)

7 October 2016

isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

1 reference

Two new triterpenoids from the roots of Actinidia chinensis

Esculentic acid (English)

7 October 2016

1 reference

Actinidia polygama

2 references

Triterpenoids from the fruit galls of Actinidia polygama

Triterpenoids from callus tissue of Actinidia polygama

Juglans regia

1 reference

Antiproliferative triterpenes from the leaves and twigs of Juglans sinensis on HSC-T6 cells

Prunus africana

1 reference

Triterpenes from Prunus africana bark

Phytolacca acinosa

1 reference

Further triterpenoids and 13C NMR spectra of oleanane derivatives from Phytolacca acinosa

Phytolacca octandra

1 reference

Further triterpenoids and 13C NMR spectra of oleanane derivatives from Phytolacca acinosa

Phytolacca icosandra

1 reference

Further triterpenoids and 13C NMR spectra of oleanane derivatives from Phytolacca acinosa

sesame

1 reference

Inhibition of Epstein-Barr Virus(EBV) Activation by Triterpenes in Sesamum indicum L. Callus.

Phytolacca americana

1 reference

Triterpenes From the Berries of Phytolacca americana

Tripterygium wilfordii

1 reference

The genus Tripterygium: A phytochemistry and pharmacological review

Identifiers

InChI

InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1

1 reference

Esculentic acid (English)

JXSVIVRDWWRQRT-SVOQGVCWSA-N

7 October 2016

InChIKey

2 references

Esculentic acid (English)

7 October 2016

ChEBI release 2020-09-01

2 references

2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid (English)

JXSVIVRDWWRQRT-SVOQGVCWSA-N

7 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=103974-74-9

1 reference

Esclentic acid (English)

7 October 2016

1 reference

Esculentic acid (English)

7 October 2016

Reaxys registry number

5486579

1 reference

2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid (English)

7 October 2016

ChEBI ID

67950

mapping relation type

1 reference

2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid (English)

7 October 2016

1 reference

CHEMBL1773214 (English)

7 October 2016

1 reference

1 reference